NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3655 8.3344 115.2888 57.9942 63.4766 173.2089
  2     I  3.8222 8.1447 127.8668 59.3121 38.7348 173.6308
  3     I  3.7839 7.6785 125.6293 60.5618 39.4733 174.2320
  4     N  4.6358 8.0718 121.8574 51.5002 38.5052 175.1235
  5     F  4.4544 8.5564 120.7552 56.9030 40.1740 174.4315
  6     E  4.7095 8.4560 122.9413 54.2204 31.5319 175.8684
  7     K  4.2644 8.2914 122.5445 56.1717 32.9864 177.3749
  8     L  4.2161 8.3588 120.6810 55.1688 41.6705 176.9456

  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 4.37 0.00 3.84 3.83 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  8.14 3.82 1.91 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 0.95 0.00 0.00 
  3     I  7.68 3.78 1.66 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.18 0.00 0.00 
  4     N  8.07 4.64 0.00 2.84 2.74 0.00 0.00 6.10 7.43 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 
  5     F  8.56 4.45 0.00 3.09 3.05 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     E  8.46 4.71 0.00 1.92 1.87 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 2.22 2.39 0.00 
  7     K  8.29 4.26 0.00 1.81 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.49 7.81 
  8     L  8.36 4.22 0.00 1.63 1.57 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00