NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  -1    P  4.4118 0.0000   0.0000 62.4100 32.7576 175.4869
  0     S  4.6947 8.3121 117.3639 55.0984 65.4577 171.9608
  1     Y  4.0623 8.7395 123.4854 57.8908 40.0315 176.5872
  2     S  4.5420 7.3533 120.4818 55.5384 65.1670 172.0020
  3     P  4.3491 0.0000   0.0000 64.3640 31.8969 176.9480
  4     T  4.2606 7.3866 112.4379 60.0957 67.4238 171.9641
  6     P  4.9353 0.0000   0.0000 61.1760 34.8162 176.0566
  7     S  4.3610 8.4568 114.7211 59.0593 62.8454 174.5115

  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    P  0.00 4.41 0.00 2.07 2.06 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 
  0     S  8.31 4.69 0.00 4.07 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 
  1     Y  8.74 4.06 0.00 2.95 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 
  2     S  7.35 4.54 0.00 3.68 3.45 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 
  3     P  0.00 4.35 0.00 2.24 2.25 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 
  4     T  7.39 4.26 4.20 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 1.17 0.00 0.00 
  6     P  0.00 4.94 0.00 2.02 1.97 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 
  7     S  8.46 4.36 0.00 3.88 3.80 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