DATA SEQUENCE MATSGFKHLV VVKFKEDTKV DEILKGLENL VSQIDTVKSF EWGEDKESHD DATA SEQUENCE MLRQGFTHAF SMTFENKDGY VAFTSHPLHV EFSAAFTAVI DKIVLLDFPV DATA SEQUENCE AAVKSSVVAT P VARS RESID RESNAME ATOMNAME SHIFT FORMAT %4d %1s %4s %8.3f 1 M CA 55.4 1 M HA 4.48 1 M CB 33.3 1 M HB3 1.97 1 M CG 31.9 1 M HG3 2.47 1 M C 175.6 2 A N 126.0 2 A HN 8.51 2 A CA 52.3 2 A CB 19.7 2 A C 177.6 3 T N 113.5 3 T HN 8.25 3 T CA 61.3 3 T HA 4.30 3 T CB 70.3 3 T HB 4.66 3 T HG2 1.18 3 T CG2 21.7 3 T C 174.8 4 S N 118.2 4 S HN 8.65 4 S CA 57.9 4 S CB 64.1 4 S HB2 3.83 4 S HB3 4.67 4 S C 174.0 5 G N 109.0 5 G HN 8.17 5 G CA 44.6 5 G HA1 4.06 5 G HA2 4.19 5 G C 172.6 6 F N 123.5 6 F HN 8.51 6 F CA 57.7 6 F CB 43.0 6 F HB3 4.71 6 F C 172.2 7 K N 130.8 7 K HN 8.59 7 K CA 54.3 7 K HA 4.92 7 K CB 35.1 7 K CG 24.9 7 K CD 28.6 7 K CE 35.0 7 K C 171.3 8 H N 123.0 8 H HN 8.46 8 H CA 53.0 8 H HA 5.49 8 H CB 32.5 8 H C 172.0 9 L N 131.1 9 L HN 9.23 9 L CA 53.7 9 L HA 4.80 9 L CB 45.2 9 L CD1 23.2 9 L CD2 26.8 9 L C 172.8 10 V N 124.3 10 V HN 8.67 10 V CA 60.4 10 V HA 4.68 10 V CB 34.2 10 V CG1 22.4 10 V CG2 20.8 10 V C 174.2 11 V N 127.3 11 V HN 8.95 11 V CA 60.9 11 V HA 4.81 11 V CB 33.4 11 V HB 1.40 11 V HG2 0.31 11 V CG1 21.4 11 V CG2 20.2 11 V C 175.4 12 V N 120.7 12 V HN 9.21 12 V CA 60.5 12 V HA 5.38 12 V CB 37.9 12 V HB 1.74 12 V CG2 21.5 12 V C 174.0 13 K N 125.3 13 K HN 8.45 13 K CA 55.6 13 K HA 4.84 13 K CB 37.9 13 K CD 37.7 13 K C 176.3 14 F N 128.8 14 F HN 10.08 14 F CA 59.4 14 F HA 4.83 14 F CB 40.1 14 F HB2 3.29 14 F HB3 2.90 14 F C 176.1 15 K N 119.4 15 K HN 8.44 15 K CA 57.5 15 K CB 33.7 15 K CG 34.0 15 K CE 42.4 15 K NZ 119.8 15 K HZ2 7.76 15 K C 178.8 16 E N 123.8 16 E HN 9.03 16 E CA 58.8 16 E HA 4.12 16 E CB 29.8 16 E CG 36.3 16 E HG2 2.00 16 E HG3 2.35 16 E C 176.3 17 D N 116.5 17 D HN 8.71 17 D CA 54.7 17 D HA 4.46 17 D CB 39.5 17 D HB3 2.79 17 D C 175.9 18 T N 116.5 18 T HN 7.53 18 T CA 64.2 18 T HA 3.87 18 T CB 69.4 18 T HB 3.92 18 T CG2 21.7 18 T C 174.6 19 K N 129.0 19 K HN 9.02 19 K CA 54.8 19 K HA 4.48 19 K CB 29.6 19 K HB3 1.84 19 K CG 24.5 19 K HG3 1.44 19 K HD2 1.75 19 K CE 29.0 19 K HE3 2.98 19 K NZ 112.5 19 K HZ2 7.79 19 K C 176.2 20 V N 126.1 20 V HN 7.94 20 V CA 66.4 20 V HA 2.85 20 V CB 31.6 20 V HB 1.79 20 V HG2 0.47 20 V CG1 22.4 20 V CG2 21.3 20 V C 176.8 21 D N 117.7 21 D HN 8.72 21 D CA 57.3 21 D HA 4.15 21 D CB 39.6 21 D HB2 2.55 21 D HB3 2.65 21 D C 178.8 22 E N 118.5 22 E HN 7.41 22 E CA 58.9 22 E HA 4.01 22 E CB 29.4 22 E HB2 2.07 22 E CG 36.4 22 E C 179.8 23 I N 122.5 23 I HN 7.34 23 I CA 61.8 23 I HA 3.96 23 I CB 35.5 23 I HG12 2.13 23 I HD1 1.10 23 I CD1 17.6 23 I C 177.7 24 L N 120.9 24 L HN 8.03 24 L CA 57.8 24 L HA 3.61 24 L CB 40.4 24 L CG 40.4 24 L CD1 23.2 24 L CD2 26.4 24 L C 178.9 25 K N 118.5 25 K HN 7.75 25 K CA 59.1 25 K HA 4.00 25 K CB 32.0 25 K HB3 1.82 25 K CG 24.9 25 K HG2 1.55 25 K HG3 1.79 25 K CD 32.0 25 K CE 28.9 25 K NZ 114.4 25 K HZ2 7.69 25 K C 179.5 26 G N 107.5 26 G HN 7.82 26 G CA 47.0 26 G HA1 2.00 26 G HA2 4.10 26 G C 176.6 27 L N 125.0 27 L HN 8.20 27 L CA 57.6 27 L HA 3.31 27 L CB 42.0 27 L HB2 0.19 27 L HB3 1.52 27 L HD1 0.07 27 L HD2 0.96 27 L CD2 24.4 27 L C 177.9 28 E N 118.8 28 E HN 8.38 28 E CA 60.0 28 E HA 3.57 28 E CB 29.4 28 E CG 36.8 28 E C 179.2 29 N N 117.3 29 N HN 7.99 29 N CA 56.3 29 N HA 4.35 29 N CB 38.7 29 N HB2 2.76 29 N HB3 2.83 29 N CG 175.8 29 N ND2 112.7 29 N HD21 6.93 29 N HD22 7.79 29 N C 177.3 30 L N 120.8 30 L HN 7.75 30 L CA 58.6 30 L HA 3.86 30 L CB 42.1 30 L HB2 1.61 30 L HB3 1.39 30 L HG 0.53 30 L HD1 1.39 30 L HD2 0.53 30 L CD1 25.6 30 L CD2 25.6 30 L C 178.3 31 V N 111.7 31 V HN 7.96 31 V CA 65.4 31 V HA 3.62 31 V CB 31.0 31 V HB 1.93 31 V HG2 0.64 31 V CG1 20.4 31 V CG2 21.4 31 V C 177.3 32 S N 114.1 32 S HN 7.61 32 S CA 60.7 32 S HA 4.20 32 S CB 63.4 32 S HB2 4.00 32 S HB3 4.20 32 S C 175.4 33 Q N 117.2 33 Q HN 7.34 33 Q CA 56.3 33 Q HA 4.33 33 Q CB 31.0 33 Q HB3 1.77 33 Q CG 34.3 33 Q HG2 2.34 33 Q HG3 2.31 33 Q CD 180.2 33 Q NE2 111.7 33 Q HE21 6.76 33 Q HE22 7.14 33 Q C 175.5 34 I N 119.9 34 I HN 7.19 34 I CA 61.5 34 I HA 4.18 34 I CB 38.1 34 I HB 1.79 34 I HG12 1.11 34 I HG13 0.47 34 I CD1 18.0 35 D N 126.4 35 D HN 8.54 35 D CA 56.4 35 D HA 4.34 35 D CB 40.6 35 D HB2 2.83 35 D HB3 2.69 35 D C 177.2 36 T N 107.0 36 T HN 7.28 36 T CA 62.8 36 T HA 4.19 36 T CB 68.8 36 T HB 4.54 36 T HG2 1.49 36 T CG2 23.7 36 T C 175.7 37 V N 120.0 37 V HN 7.40 37 V CA 62.9 37 V HA 3.28 37 V CB 30.8 37 V HB 3.28 37 V CG2 22.2 37 V C 175.2 38 K N 127.9 38 K HN 8.49 38 K CA 55.6 38 K HA 4.25 38 K CB 31.5 38 K CG 27.7 38 K CD 23.8 38 K HD2 1.50 38 K CE 42.1 38 K HE3 2.93 38 K NZ 114.4 38 K HZ2 7.69 38 K C 177.2 39 S N 109.7 39 S HN 7.26 39 S CA 57.3 39 S HA 5.22 39 S CB 65.5 39 S HB2 5.19 39 S HB3 4.56 39 S C 175.0 40 F N 122.8 40 F HN 8.71 40 F CA 55.6 40 F HA 5.78 40 F CB 43.3 40 F HB3 4.06 40 F C 172.6 41 E N 126.8 41 E HN 8.40 41 E CA 60.0 41 E HA 3.54 41 E CB 29.4 41 E CG 36.8 41 E HG2 2.41 41 E HG3 2.09 41 E C 179.2 42 W N 120.4 42 W HN 8.44 42 W CA 55.5 42 W CB 31.4 42 W HB3 4.25 42 W NE1 130.4 42 W HE1 10.49 42 W C 177.2 43 G N 107.5 43 G HN 7.88 44 E N 119.3 44 E HN 8.05 44 E CA 53.3 44 E HA 4.77 44 E CB 34.2 44 E HB3 1.52 44 E CG 36.3 44 E HG3 1.76 44 E C 174.3 45 D N 125.8 45 D HN 8.88 45 D CA 53.1 45 D HA 4.94 45 D CB 43.2 45 D HB3 4.97 45 D C 174.3 46 K N 120.2 46 K HN 8.53 46 K CA 55.0 46 K HA 4.61 46 K CB 33.4 46 K HB2 2.04 46 K HB3 1.75 46 K CG 25.2 46 K CD 29.7 46 K CE 33.4 46 K NZ 120.8 46 K HZ1 7.75 46 K C 177.1 47 E N 121.0 47 E HN 8.96 47 E CA 57.6 47 E HA 4.51 47 E CB 32.8 47 E CG 36.8 47 E C 178.0 48 S N 119.9 48 S HN 9.82 48 S CA 59.6 48 S HA 4.47 48 S CB 62.6 48 S HB3 4.43 48 S C 174.8 49 H N 124.5 49 H HN 8.99 49 H CA 58.8 49 H HA 4.34 49 H CB 31.3 49 H HB2 3.07 49 H HB3 3.25 49 H C 176.9 50 D N 126.6 50 D HN 8.58 50 D CA 58.0 50 D CB 42.3 50 D HB3 3.83 51 M N 119.5 51 M HN 10.44 51 M C 178.9 52 L N 119.8 52 L HN 7.76 52 L CA 57.0 52 L HA 4.42 52 L CB 42.0 52 L HD1 1.79 52 L HD2 1.13 52 L CD1 42.0 52 L C 177.7 53 R N 115.1 53 R HN 7.25 53 R CA 57.3 53 R HA 4.50 53 R CB 31.7 53 R HB2 1.44 53 R CG 29.7 53 R HG3 1.41 53 R CD 33.0 53 R NE 123.9 53 R HE 6.93 53 R NH1 114.4 53 R HH1 6.92 53 R C 176.7 54 Q N 113.6 54 Q HN 8.24 54 Q CA 56.6 54 Q HA 3.93 54 Q CB 26.8 54 Q CG 34.2 54 Q HG3 2.47 54 Q CD 181.0 54 Q NE2 112.0 54 Q HE21 6.61 54 Q HE22 7.78 54 Q C 175.8 55 G N 102.2 55 G HN 7.79 55 G CA 45.5 55 G C 174.3 56 F N 120.4 56 F HN 7.86 56 F CA 61.3 56 F CB 38.9 56 F HB3 4.09 56 F C 175.7 57 T N 107.3 57 T HN 8.41 57 T CA 62.1 57 T HA 4.29 57 T CB 70.4 57 T HB 4.92 57 T HG2 1.30 57 T CG2 21.8 57 T C 173.2 58 H N 119.6 58 H HN 8.22 58 H CA 55.8 58 H HA 5.39 58 H CB 35.8 58 H HB2 1.82 58 H HB3 2.41 58 H C 173.7 59 A N 119.8 59 A HN 7.89 59 A CA 49.9 59 A HA 5.29 59 A HB 0.82 59 A CB 22.8 59 A C 175.7 60 F N 118.3 60 F HN 9.36 60 F CA 55.9 60 F HA 5.36 60 F CB 42.1 60 F C 173.8 61 S N 114.1 61 S HN 9.08 61 S CA 56.8 61 S CB 66.1 61 S C 173.8 62 M N 123.5 62 M HN 8.96 62 M CA 54.7 62 M HA 5.35 62 M CB 38.2 62 M HB2 2.74 62 M CG 35.3 62 M HG2 2.74 62 M HG3 2.51 62 M C 174.3 63 T N 115.3 63 T HN 8.03 63 T CA 61.4 63 T HA 5.01 63 T CB 70.2 63 T HB 3.83 63 T CG2 21.9 63 T C 171.6 64 F N 122.3 64 F HN 9.30 64 F CA 56.0 64 F HA 4.74 64 F CB 43.4 64 F HB2 2.78 64 F HB3 3.54 64 F C 175.5 65 E N 123.1 65 E HN 10.46 65 E CA 59.3 65 E HA 4.13 65 E CB 30.8 65 E HB2 2.00 65 E HB3 2.03 65 E CG 36.7 65 E C 176.1 66 N N 107.1 66 N HN 7.56 66 N CA 51.3 66 N HA 4.50 66 N CB 39.3 66 N HB2 4.46 66 N HB3 4.46 66 N C 174.4 67 K N 121.2 67 K HN 8.83 67 K CA 59.4 67 K HA 2.71 67 K CB 32.0 67 K HB3 2.71 67 K HG3 1.46 67 K CD 29.4 67 K HD3 1.10 67 K CE 25.3 67 K HE3 2.67 67 K NZ 118.5 67 K HZ1 7.41 67 K C 177.3 68 D N 118.0 68 D HN 8.03 68 D CA 57.7 68 D HA 4.17 68 D CB 39.4 68 D HB2 2.47 68 D HB3 2.52 68 D C 179.5 69 G N 108.8 69 G HN 8.14 69 G CA 47.1 69 G C 175.3 70 Y N 124.1 70 Y HN 6.90 70 Y CA 59.2 70 Y HA 2.92 70 Y CB 37.7 70 Y HB3 2.85 70 Y C 176.7 71 V N 122.0 71 V HN 8.31 71 V CA 66.0 71 V HA 3.06 71 V CB 31.3 71 V HG1 0.77 71 V HG2 1.89 71 V CG1 20.8 71 V CG2 22.5 71 V C 179.3 72 A N 122.7 72 A HN 7.78 72 A CA 54.9 72 A HA 4.00 72 A HB 1.53 72 A CB 18.1 72 A C 179.8 73 F N 119.9 73 F HN 7.41 73 F CA 60.8 73 F HA 4.27 73 F CB 39.3 73 F HB2 3.15 73 F HB3 4.24 73 F C 175.8 74 T N 109.9 74 T HN 7.99 74 T CA 64.2 74 T CB 68.7 74 T HB 3.74 74 T HG2 0.50 74 T CG2 22.1 74 T C 176.5 75 S N 113.6 75 S HN 7.38 75 S CA 58.0 75 S HA 4.31 75 S CB 63.9 75 S HB3 3.80 75 S C 173.3 76 H N 127.6 76 H HN 7.54 76 H CA 56.8 76 H CB 32.3 77 P CD 39.2 77 P CA 54.9 77 P HA 4.16 77 P CB 31.8 77 P HB2 2.86 77 P HB3 3.14 77 P CG 31.8 77 P HG2 3.11 77 P HD2 2.84 77 P HD3 4.13 77 P C 176.9 78 L N 120.4 78 L HN 8.33 78 L CA 54.8 78 L HA 4.46 78 L CB 33.3 78 L HB2 2.47 78 L HB3 1.99 78 L HG 2.23 78 L HD2 2.05 78 L CD2 31.4 78 L C 175.4 79 H N 125.4 79 H HN 8.42 79 H CA 52.5 79 H HA 4.05 79 H CB 29.2 79 H HB3 2.46 79 H C 177.6 80 V N 122.5 80 V HN 8.15 80 V CA 66.9 80 V HA 3.46 80 V CB 31.8 80 V HB 2.10 80 V HG1 2.08 80 V HG2 0.93 80 V CG1 20.9 80 V CG2 22.1 80 V C 179.1 81 E N 118.7 81 E HN 7.71 81 E CA 59.3 81 E HA 4.04 81 E CB 30.1 81 E HB3 2.07 81 E CG 36.1 81 E HG3 2.26 81 E C 178.9 82 F N 120.8 82 F HN 7.94 82 F CA 61.6 82 F HA 4.21 82 F CB 39.8 82 F HB2 2.75 82 F HB3 3.29 82 F C 177.0 83 S N 113.7 83 S HN 8.75 83 S CA 62.7 83 S CB 62.5 83 S HB2 3.87 83 S C 176.4 84 A N 123.2 84 A HN 7.27 84 A CA 55.0 84 A HA 4.13 84 A HB 1.45 84 A CB 18.0 84 A C 179.6 85 A N 121.1 85 A HN 7.06 85 A CA 52.3 85 A HA 3.39 85 A HB 1.33 85 A CB 19.5 85 A C 177.3 86 F N 116.4 86 F HN 8.17 86 F CA 59.5 86 F HA 4.03 86 F CB 40.1 86 F HB2 2.75 86 F HB3 2.31 86 F C 176.9 87 T N 110.8 87 T HN 8.22 87 T CA 66.0 87 T HA 4.18 87 T CB 69.0 87 T HB 3.64 87 T HG2 1.25 87 T CG2 21.7 88 A N 119.4 88 A HN 7.01 88 A CA 54.2 88 A HA 4.23 88 A HB 1.49 88 A CB 19.1 88 A C 179.0 89 V N 106.8 89 V HN 7.33 89 V CA 60.9 89 V HA 4.59 89 V CB 31.2 89 V CG1 21.6 89 V CG2 18.8 89 V C 175.7 90 I N 119.8 90 I HN 7.01 90 I CA 61.8 90 I CB 40.0 90 I HG13 0.36 90 I HD1 0.36 90 I CD1 18.6 91 D N 125.3 91 D HN 8.97 91 D CA 55.1 91 D HA 4.76 91 D CB 43.7 91 D HB2 2.04 91 D HB3 2.26 91 D C 175.7 92 K N 112.9 92 K HN 7.66 92 K CA 55.2 92 K HA 4.24 92 K CB 36.6 92 K HB2 1.41 92 K HB3 1.91 92 K CG 29.8 92 K CD 23.8 92 K HD2 1.41 92 K HD3 1.88 92 K CE 36.6 92 K NZ 113.3 92 K HZ2 7.79 92 K C 173.8 93 I N 118.9 93 I HN 8.65 93 I CA 59.9 93 I HA 5.57 93 I CB 42.5 93 I HD1 0.93 93 I CD1 15.2 93 I C 172.6 94 V N 128.3 94 V HN 9.08 94 V CA 62.4 94 V HA 4.27 94 V CB 35.6 94 V HB 1.36 94 V CG1 22.6 94 V CG2 20.5 94 V C 172.9 95 L N 127.8 95 L HN 7.80 95 L CA 53.7 95 L HA 4.60 95 L CB 45.5 95 L HB3 1.48 95 L HG 1.47 95 L HD2 1.04 95 L CD1 27.1 95 L C 171.8 96 L N 122.8 96 L HN 8.71 96 L CA 54.6 96 L HA 4.84 96 L CB 47.4 96 L HD2 1.42 96 L CD1 27.1 96 L CD2 25.2 96 L C 173.0 97 D N 123.4 97 D HN 9.16 97 D CA 52.0 97 D HA 5.56 97 D CB 42.9 97 D C 175.1 98 F N 118.2 98 F HN 7.86 98 F CA 52.6 98 F CB 38.5 99 P CA 61.9 99 P HA 4.82 99 P CB 31.9 99 P CG 27.6 99 P C 176.8 100 V N 123.1 100 V HN 7.92 100 V CA 62.7 100 V HA 3.90 100 V CB 33.2 100 V HB 1.82 100 V HG2 0.69 100 V CG1 21.8 100 V CG2 22.4 100 V C 174.8 101 A N 130.7 101 A HN 8.56 101 A CA 51.3 101 A HA 4.51 101 A HB 0.75 101 A CB 18.7 101 A C 175.6 102 A N 125.3 102 A HN 8.29 102 A CA 51.5 102 A HA 4.62 102 A HB 1.27 102 A CB 19.9 102 A C 176.9 103 V N 121.8 103 V HN 8.06 103 V CA 62.9 103 V HA 4.19 103 V CB 33.7 103 V HB 1.98 103 V HG1 0.97 103 V HG2 1.95 103 V CG1 21.4 103 V CG2 33.6 103 V C 175.6 104 K N 122.9 104 K HN 8.39 104 K CA 55.8 104 K HA 4.61 104 K CB 35.6 104 K HB2 1.71 104 K HG3 1.69 104 K CD 25.0 104 K HD3 1.39 104 K CE 29.8 104 K HE3 2.94 104 K C 175.7 105 S N 120.5 105 S HN 8.65 105 S CA 57.8 105 S HA 4.64 105 S CB 64.5 105 S HB3 3.79 105 S C 173.8 106 S N 118.2 106 S HN 8.43 106 S CA 58.2 106 S HA 4.65 106 S CB 64.0 106 S HB3 3.80 106 S C 174.3 107 V N 122.1 107 V HN 8.15 107 V CA 62.3 107 V HA 4.13 107 V CB 32.8 107 V HB 2.04 107 V HG1 2.00 107 V HG2 0.87 107 V CG1 20.9 107 V CG2 22.4 107 V C 176.0 108 V N 124.8 108 V HN 8.20 108 V CA 62.1 108 V HA 4.10 108 V CB 32.8 108 V HB 2.03 108 V HG1 0.89 108 V HG2 2.00 108 V CG1 20.9 108 V CG2 33.9 108 V C 174.7 109 A N 128.8 109 A HN 8.41 109 A CA 52.4 109 A HA 4.36 109 A HB 1.33 109 A CB 19.6 109 A C 176.3 110 T N 116.4 110 T HN 8.17 110 T CA 61.9 110 T CB 69.8