****************************************************** Program: SHIFTY (version 1.2) Description: Predict Chemical Shifts Date: Sat Feb 6 09:35:01 2010 Sequence Name: Web_Submission_Sequence Amino acids: 118 Scoring Mat: /data/www/lib/shifty/wt.homology Gap Penalty: 10 Gap Size Pen: 2 Sort Method: 1 ****************************************************** Number of proteins tested: 1661 Number of alignments found: 1 **************************(1)************************** Title: SUC1-ASSOCIATED NEUROTROPHIC FACTOR TARGET BMRB Link: Accession 4790 Matches: 110 Percent Identity: 93.22 Reliability of Chemical Shift Prediction(%): 98.84 Expected RMSD(ppm): 0.14 Query Seq: TVPDNHRNKFKVINVDDDGNELGSGIMELTDTELILYTRKRDSVKWHYLC 50 Matching : |||| | ||||||||||||||||||||||||||||||| ||||||||||| Database : TVPD*H*NKFKVINVDDDGNELGSGIMELTDTELILYT*KRDSVKWHYLC 50 Structure: CUUU*U*UUUUUUUUUUUUUUUUUUUUUUUUUUUUUUU*UUUUUUUUUUU Query Seq: LRRYGYDSNLFSFESGRRCQTGQGIFAFKCARAEELFNMLQEIMQNNSIN 100 Matching : |||||||||||||||||||||||||||||||||||||||||||||||||| Database : LRRYGYDSNLFSFESGRRCQTGQGIFAFKCARAEELFNMLQEIMQNNSIN 100 Structure: UUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUUU Query Seq: VVEEPVVERNNHQTELEV 118 Matching : ||||||||| ||| | Database : VVEEPVVER****TEL*V 118 Structure: UUUUUUUUU****UUU*U HA = amide shift, CA = alpha carbon shift CB = beta carbon shift, CO = other carbon shift I = input seq, D = database seq, S = structure Num I D S HA CA CB CO 1 T = T C 4.28 61.93 69.55 **** 2 V = V U 4.38 59.65 32.75 **** 3 P = P U 4.38 62.95 31.99 **** 4 D = D U 4.45 54.57 41.12 **** 5 N * * **** **** **** **** 6 H = H U 4.45 56.60 30.47 **** 7 R * * **** **** **** **** 8 N = N U 4.68 53.05 38.59 **** 9 K = K U 5.17 55.34 35.29 **** 10 F = F U 4.48 56.35 42.65 **** 11 K = K U 4.71 57.62 31.99 **** 12 V = V U 5.58 58.89 37.06 **** 13 I = I U 4.84 60.66 42.39 **** 14 N = N U 4.53 54.32 40.36 **** 15 V = V U 5.54 58.63 36.05 **** 16 D = D U 4.45 51.27 41.63 **** 17 D = D U 4.13 56.86 41.63 **** 18 D = D U 4.76 53.81 42.39 **** 19 G = G U **** 45.19 **** **** 20 N = N U 4.46 53.56 38.08 **** 21 E = E U 4.01 57.37 29.70 **** 22 L = L U 4.52 53.56 41.63 **** 23 G = G U **** **** **** **** 24 S = S U 5.43 57.37 65.74 **** 25 G = G U **** **** **** **** 26 I = I U 4.99 58.38 40.87 **** 27 M = M U 5.63 53.30 36.56 **** 28 E = E U 5.43 53.81 34.53 **** 29 L = L U 5.01 54.57 42.14 **** 30 T = T U 4.96 59.65 69.80 **** 31 D = D U 4.57 57.11 40.36 **** 32 T = T U 4.36 61.93 71.83 **** 33 E = E U 4.48 57.62 34.02 **** 34 L = L U 4.89 54.32 44.42 **** 35 I = I U 4.68 60.66 40.87 **** 36 L = L U 5.24 53.05 46.20 **** 37 Y = Y U 5.08 56.60 39.60 **** 38 T = T U 4.75 60.92 70.82 **** 39 R * * **** **** **** **** 40 K = K U 4.10 57.11 31.48 **** 41 R = R U 4.34 56.10 30.21 **** 42 D = D U 4.77 54.32 41.38 **** 43 S = S U 5.15 57.11 65.49 **** 44 V = V U 3.97 60.92 34.02 **** 45 K = K U 5.28 54.07 36.30 **** 46 W = W U 4.66 58.13 31.48 **** 47 H = H U 4.48 57.62 30.97 **** 48 Y = Y U 4.30 60.41 36.81 **** 49 L = L U 4.30 56.35 41.38 **** 50 C = C U 5.06 57.62 28.69 **** 51 L = L U 4.61 55.84 42.39 **** 52 R = R U 4.71 56.35 32.50 **** 53 R = R U 5.33 54.83 34.53 **** 54 Y = Y U 5.48 57.62 40.36 **** 55 G = G U **** 47.72 **** **** 56 Y = Y U 5.76 55.84 43.15 **** 57 D = D U 4.28 52.80 44.93 **** 58 S = S U 4.24 60.66 62.44 **** 59 N = N U 5.17 53.30 39.09 **** 60 L = L U 5.40 54.83 47.22 **** 61 F = F U 5.57 56.10 44.17 **** 62 S = S U 5.41 54.83 65.99 **** 63 F = F U 5.32 56.10 42.39 **** 64 E = E U 5.69 53.05 33.51 **** 65 S = S U 5.29 57.11 68.78 **** 66 G = G U **** **** **** **** 67 R = R U 4.08 58.63 31.48 **** 68 R = R U 4.52 55.34 27.67 **** 69 C = C U 4.87 56.35 29.96 **** 70 Q = Q U 4.05 59.40 28.94 **** 71 T = T U 4.15 63.71 71.32 **** 72 G = G U **** 43.92 **** **** 73 Q = Q U 4.19 55.59 28.69 **** 74 G = G U **** 45.19 **** **** 75 I = I U 4.18 60.41 39.35 **** 76 F = F U 4.73 55.34 42.90 **** 77 A = A U 5.18 51.27 23.36 **** 78 F = F U 5.40 55.84 42.90 **** 79 K = K U 5.19 56.10 33.51 **** 80 C = C U 4.68 58.89 28.94 **** 81 A = A U 4.58 54.83 18.29 **** 82 R = R U 4.98 54.57 30.97 **** 83 A = A U 3.59 56.86 19.55 **** 84 E = E U 2.63 59.40 29.70 **** 85 E = E U 3.96 59.65 30.21 **** 86 L = L U 3.00 59.40 41.38 **** 87 F = F U 3.82 62.19 40.11 **** 88 N = N U 4.21 55.84 37.83 **** 89 M = M U 4.10 57.27 32.50 **** 90 L = L U 3.63 57.62 40.87 **** 91 Q = Q U 3.90 59.14 29.45 **** 92 E = E U 3.92 59.65 29.45 **** 93 I = I U 3.57 65.49 38.59 **** 94 M = M U 3.88 59.14 30.72 **** 95 Q = Q U 4.13 58.89 28.18 **** 96 N = N U 4.52 55.34 32.50 **** 97 N = N U 4.79 53.56 40.11 **** 98 S = S U 4.74 **** **** **** 99 I = I U 4.08 60.16 38.08 **** 100 N = N U 4.63 53.81 39.09 **** 101 V = V U 4.95 59.65 34.53 **** 102 V = V U 4.35 60.66 34.78 **** 103 E = E U 4.49 56.60 30.21 **** 104 E = E U 4.67 53.81 30.21 **** 105 P = P U 4.46 62.95 31.99 **** 106 V = V U 4.06 62.70 32.50 **** 107 V = V U 4.08 61.93 33.00 **** 108 E = E U 4.25 56.35 29.96 **** 109 R = R U 4.30 56.10 30.97 **** 110 N * * **** **** **** **** 111 N * * **** **** **** **** 112 H * * **** **** **** **** 113 Q * * **** **** **** **** 114 T = T U 4.28 62.19 69.55 **** 115 E = E U 4.27 56.35 29.70 **** 116 L = L U 4.30 55.34 42.65 **** 117 E * * **** **** **** **** 118 V = V U 4.23 **** **** ****