NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3997 8.3349 115.2902 57.7236 63.5129 173.6481
  2     L  4.0436 8.3132 127.4889 53.2705 42.2434 175.2250
  3     L  4.1567 8.4112 122.8023 55.5968 43.7028 176.1003
  4     M  4.1207 8.6927 123.2799 56.1502 33.1334 176.2360
  5     W  4.7422 8.1645 117.6291 54.6910 31.3229 174.8984
  6     I  4.5981 8.3659 123.4244 59.7347 39.4972 174.9270
  7     T  4.4563 8.4670 122.2681 62.1086 69.5688 174.9827
  8     Q  4.1782 8.5351 125.1725 56.0459 29.5193 176.2681
  9     C  4.3075 8.5033 114.2746 58.5949 29.9563 173.4841

  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 4.40 0.00 3.85 3.85 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     L  8.31 4.04 0.00 1.74 1.57 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.41 4.16 0.00 1.61 1.59 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.69 4.12 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.63 0.00 
  5     W  8.16 4.74 0.00 3.24 3.12 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     I  8.37 4.60 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.94 0.00 0.00 
  7     T  8.47 4.46 4.27 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 1.24 0.00 0.00 
  8     Q  8.54 4.18 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.50 4.31 0.00 3.09 2.92 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