NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3776 8.3349 115.2877 57.7276 63.5480 173.6008
  2     L  4.0319 8.2292 126.9302 53.0533 42.2546 175.2013
  3     L  3.9812 8.4590 122.8015 55.9029 43.4447 176.3590
  4     M  3.8390 8.4229 124.4388 56.2994 32.7935 175.7510
  5     W  4.8960 7.6995 118.4892 55.0121 30.1090 175.2632
  6     I  4.7242 8.3314 123.6898 59.6154 40.1205 174.9972
  7     T  4.6575 8.2593 120.2074 61.4955 70.5897 174.6577
  8     Q  4.2052 8.4614 124.5241 55.8486 29.5576 176.8310
  9     V  3.8282 8.1985 112.4720 61.8575 31.6411 176.3802

  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 4.38 0.00 3.83 3.82 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  8.23 4.03 0.00 1.71 1.55 0.89 0.66 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 
  3     L  8.46 3.98 0.00 1.59 1.57 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.42 3.84 0.00 0.99 1.63 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.36 0.00 
  5     W  7.70 4.90 0.00 3.32 3.08 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  8.33 4.72 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.94 0.00 0.00 
  7     T  8.26 4.66 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 1.23 0.00 0.00 
  8     Q  8.46 4.21 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 
  9     V  8.20 3.83 2.09 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 0.66 0.00 0.00 0.94 0.00 0.00