NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3906 8.3344 116.8000 58.4744 64.2109 173.1264
  2     I  4.1224 8.0703 124.5171 58.6538 39.6283 174.5163
  3     Y  4.5279 8.3033 122.7633 57.6640 40.1520 174.7553
  4     R  4.5754 6.1030 112.1338 59.3909 30.2182 174.7344
  5     Y  4.0830 5.9055 115.6942 55.3185 40.2374 175.6279
  6     Y  4.8572 8.4113 123.2505 55.1285 41.6494 175.5801
  7     G  3.6709 7.7482 113.9672 45.6954  0.0000 173.3724
  8     L  4.1408 8.1190 118.2772 54.8042 41.7641 177.1833

  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     S  8.33 4.39 0.00 3.90 3.90 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 
  2     I  8.07 4.12 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.14 1.02 0.00 0.00 
  3     Y  8.30 4.53 0.00 2.53 2.27 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     R  6.10 4.58 0.00 1.58 1.40 0.00 3.28 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 
  5     Y  5.91 4.08 0.00 3.01 2.94 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 
  6     Y  8.41 4.86 0.00 2.81 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 
  7     G  7.75 3.67 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 
  8     L  8.12 4.14 0.00 1.60 1.56 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00