NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.3975 8.3344 115.4124 58.0297 64.3704 172.5474
  3     L  4.2144 8.1653 122.8668 53.5449 43.0995 174.5410
  4     S  4.6573 9.0532 121.5005 56.5215 65.1452 173.7020
  5     N  4.6521 8.6661 123.1452 53.2570 40.4907 176.4931
  6     G  3.9939 8.2388 110.5308 44.7422  0.0000 175.9588
  7     P  4.2331 0.0000   0.0000 62.7407 31.7788 175.6288
  8     H  4.5488 8.4355 118.9456 54.8977 29.6947 175.5961
  9     L  4.1782 8.3686 119.3576 55.3824 41.4019 177.4961

  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   
  2     S  8.33 4.40 0.00 3.99 3.94 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 
  3     L  8.17 4.21 0.00 1.68 1.59 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 
  4     S  9.05 4.66 0.00 3.86 3.76 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     N  8.67 4.65 0.00 2.68 2.72 0.00 0.00 7.08 7.65 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     G  8.24 3.99 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     P  0.00 4.23 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 
  8     H  8.44 4.55 0.00 3.12 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.37 4.18 0.00 1.65 1.60 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00