NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3104 8.2544 120.8640 56.2341 31.9506 177.2850 2 C 4.4701 7.6483 115.9588 54.6410 43.9280 172.5194 3 C 4.9360 8.6863 117.7522 56.5851 39.4611 172.4639 4 H 4.9059 7.5018 115.2477 53.0301 30.0151 174.2771 5 P 4.4968 0.0000 0.0000 64.8041 31.3336 177.2553 6 Q 4.1931 7.9756 119.5693 58.5013 29.7660 177.3221 7 C 4.4084 8.3556 115.4305 57.4873 36.0557 174.6274 8 G 3.6358 8.2050 108.8097 45.9290 0.0000 174.8190 9 A 3.6169 8.7459 122.0728 54.6689 18.4362 177.4848 10 A 4.3369 7.2378 117.9773 52.2513 19.3335 177.0310 11 Y 4.6590 6.3690 119.0596 58.7718 39.4717 175.5693 12 S 4.8049 8.8598 114.6942 57.7642 63.9561 174.3391 13 C 4.5294 8.1052 116.7383 57.3781 40.9940 173.5590 14 R 4.6807 7.7263 119.7922 55.9219 32.5064 174.9880 15 K 4.0642 8.3413 121.0783 57.2760 33.0087 175.2692 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 R 8.25 4.31 0.00 1.81 2.00 0.00 3.19 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 2 C 7.65 4.47 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.69 4.94 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.50 4.91 0.00 3.25 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.50 0.00 2.20 2.20 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 6 Q 7.98 4.19 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 7 C 8.36 4.41 0.00 3.10 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.75 3.62 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.24 4.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 6.37 4.66 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.86 4.80 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.11 4.53 0.00 2.79 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.73 4.68 0.00 1.73 1.74 0.00 3.44 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 15 K 8.34 4.06 0.00 1.70 1.60 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.33 7.81