DATA SEQUENCE MADTGEVQFM KPFISEKSSK SLEIPLGFNE YFPAPFPITV DLLDYSGRSW DATA SEQUENCE TVRMKKRGEK VFLTVGWENF VKDNNLEDGK YLQFIYDRDR TFYVIIYGHN DATA SEQUENCE MC VARS RESID RESNAME ATOMNAME SHIFT FORMAT %4d %1s %4s %8.3f 1 M CA 56.0 1 M HA 4.50 1 M CB 32.8 1 M C 176.2 2 A N 124.6 2 A CA 52.9 2 A HA 4.32 2 A CB 19.3 2 A C 177.6 3 D N 119.7 3 D CA 54.7 3 D HA 4.66 3 D CB 41.7 3 D C 176.4 4 T N 112.3 4 T CA 61.6 4 T HA 4.34 4 T CB 70.0 4 T C 175.3 5 G N 110.9 5 G CA 45.5 5 G HA1 4.01 5 G HA2 3.93 5 G C 173.7 6 E N 120.1 6 E CA 57.2 6 E HA 4.45 6 E CB 30.9 6 E C 176.7 7 V N 118.3 7 V CA 60.6 7 V HA 4.50 7 V CB 34.2 7 V C 174.4 8 Q N 119.2 8 Q CA 54.0 8 Q HA 6.23 8 Q CB 32.9 8 Q C 175.4 9 F N 115.0 9 F CA 57.4 9 F HA 5.03 9 F CB 41.5 9 F C 171.9 10 M N 120.2 10 M CA 53.8 10 M HA 5.84 10 M CB 36.0 10 M C 176.3 11 K N 124.4 11 K CA 53.8 11 K HA 5.15 11 K CB 37.3 12 P CA 62.8 12 P HA 4.29 12 P CB 32.3 12 P C 176.0 13 F N 122.3 13 F CA 59.3 13 F HA 4.25 13 F CB 39.8 13 F C 172.9 14 I N 130.2 14 I CA 58.9 14 I HA 4.36 14 I CB 39.0 14 I C 177.1 15 S N 128.9 15 S CA 59.3 15 S HA 3.86 15 S CB 62.9 15 S C 177.3 16 E N 119.8 16 E CA 59.1 16 E HA 4.14 16 E CB 30.1 16 E C 177.3 17 K N 114.3 17 K CA 56.6 17 K HA 4.57 17 K CB 34.9 17 K C 180.2 18 S N 113.5 18 S CA 57.9 18 S HA 5.99 18 S CB 64.6 18 S C 174.3 19 S N 116.4 19 S CA 63.2 19 S HA 4.17 19 S CB 61.8 19 S C 174.4 20 K N 116.8 20 K CA 56.7 20 K HA 4.73 20 K CB 35.1 20 K C 176.1 21 S N 114.6 21 S CA 57.0 21 S HA 4.96 21 S CB 66.3 21 S C 171.0 22 L N 120.4 22 L CA 52.5 22 L HA 4.52 22 L CB 43.8 22 L C 174.9 23 E N 128.6 23 E CA 55.5 23 E HA 3.52 23 E CB 30.9 23 E C 174.9 24 I N 131.9 24 I CA 57.4 24 I HA 3.43 24 I CB 37.3 25 P CA 63.6 25 P HA 4.17 25 P CB 32.2 25 P C 177.1 26 L N 124.7 26 L CA 57.8 26 L HA 4.14 26 L CB 42.8 26 L C 180.0 27 G N 106.2 27 G CA 46.4 27 G HA1 3.93 27 G HA2 3.85 27 G C 174.6 28 F N 122.0 28 F CA 58.6 28 F HA 4.31 28 F CB 41.3 28 F C 175.8 29 N N 114.7 29 N CA 55.8 29 N HA 4.40 29 N CB 37.5 29 N C 177.7 30 E N 116.7 30 E CA 57.9 30 E HA 4.12 30 E CB 29.5 30 E C 176.5 31 Y N 116.8 31 Y CA 57.9 31 Y HA 4.46 31 Y CB 38.5 31 Y C 176.6 32 F N 118.4 32 F CA 57.1 32 F HA 5.22 32 F CB 38.6 33 P CA 63.6 33 P HA 4.37 33 P CB 32.2 33 P C 175.2 34 A N 119.6 34 A CA 49.0 34 A HA 4.74 34 A CB 20.9 35 P C 175.5 36 F N 124.0 37 P CA 62.9 37 P HA 4.69 37 P CB 34.4 37 P C 173.8 38 I N 119.6 38 I CA 62.9 38 I HA 4.35 38 I CB 38.6 38 I C 177.7 39 T N 108.0 39 T CA 59.1 39 T HA 5.26 39 T CB 72.8 39 T C 173.4 40 V N 112.6 40 V CA 59.2 40 V HA 5.11 40 V CB 36.0 40 V C 173.9 41 D N 120.2 41 D CA 53.3 41 D HA 5.76 41 D CB 43.1 41 D C 174.5 42 L N 122.3 42 L CA 53.5 42 L HA 5.38 42 L CB 42.5 42 L C 175.3 43 L N 124.6 43 L CA 54.0 43 L HA 5.63 43 L CB 45.8 43 L C 177.0 44 D N 117.8 45 Y C 176.6 46 S N 117.2 46 S C 175.2 47 G N 111.0 47 G CA 45.6 47 G HA1 4.38 47 G HA2 3.74 47 G C 174.5 48 R N 120.9 48 R CA 56.9 48 R HA 4.07 48 R CB 32.3 48 R C 174.4 49 S N 112.2 49 S CA 56.6 49 S HA 5.70 49 S CB 67.0 49 S C 173.9 50 W N 126.3 50 W CA 59.2 50 W HA 4.82 50 W CB 33.1 50 W C 175.3 51 T N 122.1 51 T CA 63.6 51 T HA 5.45 51 T CB 70.4 51 T C 175.5 52 V N 126.7 52 V CA 59.9 52 V HA 5.28 52 V CB 35.6 52 V C 174.4 53 R N 125.0 53 R CA 56.5 53 R HA 4.73 53 R CB 32.2 53 R C 174.9 54 M N 124.3 54 M CA 55.0 54 M HA 5.44 54 M CB 37.1 54 M C 175.6 55 K N 125.0 55 K CA 54.9 55 K HA 4.76 55 K CB 37.7 55 K C 174.2 56 K N 126.1 56 K CA 55.8 56 K HA 5.08 56 K CB 34.0 57 R N 127.8 57 R C 176.6 58 G N 127.8 58 G CA 47.2 58 G HA1 4.02 58 G HA2 3.64 58 G C 174.6 59 E N 126.1 59 E CA 56.7 59 E HA 4.25 59 E CB 30.6 59 E C 175.7 60 K N 118.1 60 K CA 56.3 60 K HA 4.49 60 K CB 36.7 60 K C 174.6 61 V N 123.5 61 V CA 62.2 61 V HA 4.47 61 V CB 33.0 61 V C 173.5 62 F N 122.2 62 F CA 55.5 62 F HA 5.28 62 F CB 43.4 62 F C 175.9 63 L N 120.5 63 L CA 54.3 63 L HA 5.02 63 L CB 40.4 63 L C 177.7 64 T N 114.4 64 T CA 59.4 64 T HA 4.78 64 T CB 69.1 64 T C 174.7 65 V N 125.6 65 V CA 65.7 65 V HA 3.89 65 V CB 32.2 65 V C 176.7 66 G N 117.8 66 G CA 45.7 66 G HA1 5.08 66 G HA2 4.03 66 G C 177.2 67 W N 127.3 67 W CA 60.1 67 W HA 4.44 67 W CB 30.1 67 W C 177.2 68 E N 117.6 68 E CA 59.3 68 E HA 3.85 68 E CB 29.1 68 E C 178.1 69 N N 117.3 69 N CA 56.3 69 N HA 4.48 69 N CB 38.2 69 N C 175.9 70 F N 121.4 70 F CA 62.3 70 F HA 2.44 70 F CB 38.7 70 F C 177.7 71 V N 119.5 71 V CA 66.1 71 V HA 2.62 71 V CB 32.2 71 V C 177.7 72 K N 118.2 72 K CA 59.1 72 K HA 4.00 72 K CB 32.7 72 K C 180.7 73 D N 119.6 73 D CA 57.0 73 D HA 4.33 73 D CB 41.1 73 D C 177.4 74 N N 112.7 74 N CA 53.4 74 N HA 4.48 74 N CB 39.1 74 N C 172.6 75 N N 118.0 75 N CA 54.1 75 N HA 4.26 75 N CB 37.7 75 N C 174.8 76 L N 115.8 76 L CA 56.7 76 L HA 3.52 76 L CB 40.9 76 L C 175.3 77 E N 117.2 77 E CA 54.1 77 E HA 4.66 77 E CB 34.0 77 E C 174.3 78 D N 121.6 78 D CA 57.2 78 D HA 4.88 78 D CB 41.0 78 D C 177.0 79 G N 111.7 79 G CA 45.2 79 G HA1 4.60 79 G HA2 3.71 79 G C 174.8 80 K N 116.9 80 K CA 55.4 80 K HA 5.07 80 K CB 34.4 80 K C 175.9 81 Y N 121.5 81 Y CA 58.1 81 Y HA 4.81 81 Y CB 41.6 81 Y C 173.8 82 L N 120.8 82 L CA 53.9 82 L HA 5.16 82 L CB 45.7 82 L C 174.9 83 Q N 124.2 83 Q CA 54.6 83 Q HA 5.12 83 Q C 173.1 84 F N 126.5 84 F CA 56.8 84 F HA 4.96 84 F CB 41.2 84 F C 175.3 85 I N 122.7 85 I CA 62.0 85 I HA 4.75 85 I CB 40.0 85 I C 175.7 86 Y N 129.7 86 Y CA 54.5 86 Y HA 5.50 86 Y CB 43.7 86 Y C 174.6 87 D N 126.4 88 R CA 59.3 88 R HA 3.03 88 R CB 26.6 88 R C 173.9 89 D N 119.6 89 D CA 54.7 89 D HA 4.92 89 D CB 40.7 89 D C 175.9 90 R N 122.0 90 R CA 55.4 90 R HA 5.25 90 R CB 30.7 90 R C 173.2 91 T N 118.6 91 T CA 63.7 91 T HA 5.38 91 T CB 70.7 91 T C 173.4 92 F N 124.4 92 F CA 56.2 92 F HA 5.86 92 F CB 42.8 92 F C 175.5 93 Y N 122.8 93 Y CA 57.8 93 Y HA 5.29 93 Y CB 40.3 93 Y C 176.0 94 V N 122.1 94 V CA 60.3 94 V HA 5.04 94 V CB 34.1 94 V C 175.1 95 I N 128.4 95 I CA 61.0 95 I HA 4.14 95 I CB 40.8 95 I C 174.2 96 I N 126.7 96 I CA 60.6 96 I HA 4.67 96 I CB 39.6 96 I C 179.3 97 Y N 127.4 97 Y CA 57.2 97 Y HA 4.90 97 Y CB 41.2 97 Y C 175.7 98 G N 108.4 98 G CA 45.1 98 G HA1 4.43 98 G HA2 4.04 99 H HA 4.72 99 H CB 31.0 100 N CA 53.5 100 N HA 4.48 100 N CB 38.8 100 N C 174.3 101 M N 126.2 101 M CA 57.1 101 M HA 3.87 101 M CB 32.8