NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1A    T  4.3120 8.1593 117.3742 63.1687 70.1725 172.8548
  1     C  4.0010 8.1551 116.5571 59.1959 29.8433 172.9449
  2     G  4.0123 9.4345 108.7371 45.9155  0.0000 174.6554
  3     L  4.7303 7.1975 117.9518 53.2012 43.6709 176.4645
  4     R  4.4348 7.8264 115.8485 55.6675 31.3780 173.6504
  5     Q  4.6654 8.1428 115.0545 54.8057 32.4739 175.0395
  6     Y  4.3226 8.2463 115.6729 58.4373 38.9192 175.6707

  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   
  1A    T  8.16 4.31 4.24 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 1.21 0.00 0.00 
  1     C  8.16 4.00 0.00 3.18 3.06 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     G  9.43 4.01 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 
  3     L  7.20 4.73 0.00 1.75 1.58 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 
  4     R  7.83 4.43 0.00 1.71 1.79 0.00 2.78 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.00 
  5     Q  8.14 4.67 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 
  6     Y  8.25 4.32 0.00 2.93 2.75 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