NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.7597 8.1449 118.9719 57.1112 39.2103 174.4154
  2     T  3.7994 8.2544 115.7933 63.3463 69.0773 171.6974
  3     S  4.5870 8.2619 117.7652 55.9665 65.1445 173.8911
  4     G  3.9327 8.4496 115.6590 45.0372  0.0000 172.3684
  5     P  4.0129 0.0000   0.0000 63.5558 31.6203 178.1341
  6     G  3.7887 7.1688 106.5357 45.4410  0.0000 172.7069
  7     I  4.3161 7.9052 119.9393 59.7394 38.8650 175.8798
  8     R  4.2620 8.1370 121.6012 56.0629 30.7763 176.5978
  9     Y  4.1253 8.7518 116.4975 58.5242 37.8563 176.1325

  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     Y  8.14 4.76 0.00 3.05 3.00 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 
  2     T  8.25 3.80 4.08 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 1.08 0.00 0.00 
  3     S  8.26 4.59 0.00 3.77 3.69 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     G  8.45 3.93 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 
  5     P  0.00 4.01 0.00 2.18 2.21 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 
  6     G  7.17 3.79 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 
  7     I  7.91 4.32 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.87 0.00 0.00 
  8     R  8.14 4.26 0.00 1.83 1.94 0.00 3.23 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 
  9     Y  8.75 4.13 0.00 2.88 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