NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.5947 8.1449 121.6943 57.3888 39.5856 174.8749
  2     M  4.1444 8.0943 127.1550 53.7139 31.8967 175.3668
  3     F  4.4376 9.4413 124.6557 57.6902 41.1373 174.2973
  4     P  4.1743 0.0000   0.0000 64.5394 31.3669 176.2512
  5     N  4.7568 6.0785 110.4491 50.9862 41.3500 173.7991
  6     A  4.6443 8.1554 123.7861 49.6059 20.0153 174.9210
  7     P  4.3260 0.0000   0.0000 62.5963 32.3120 176.1686
  8     Y  4.3190 8.2021 119.7011 58.2493 38.3984 176.4740
  9     L  4.2228 8.7157 122.7641 55.2473 41.6804 176.9946

  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 4.59 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     M  8.09 4.14 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 
  3     F  9.44 4.44 0.00 3.04 2.96 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     P  0.00 4.17 0.00 1.57 1.86 0.00 2.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 
  5     N  6.08 4.76 0.00 2.53 2.57 0.00 0.00 6.83 7.23 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     A  8.16 4.64 1.19 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     P  0.00 4.33 0.00 2.22 2.11 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 
  8     Y  8.20 4.32 0.00 3.03 2.88 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 
  9     L  8.72 4.22 0.00 1.69 1.63 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00