NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     T  4.2446 8.1593 115.2410 61.1525 68.4513 173.4721
  2     P  4.2606 0.0000   0.0000 60.4202 32.2657 174.0047
  3     Y  4.5961 8.0120 117.5821 56.6223 40.3193 175.5047
  4     D  4.9377 8.3750 117.3052 53.6729 41.4845 174.4172
  5     I  4.2080 7.0993 111.3320 58.7574 40.2650 174.5893
  6     N  4.5292 8.3445 119.6598 53.3453 38.7528 174.5694
  7     Q  4.5232 8.3647 125.8201 55.9023 29.5102 175.3011
  8     M  4.2131 7.4940 118.0035 54.8607 32.6741 176.0010
  9     L  4.1803 8.5009 125.0972 55.1628 41.7768 176.8583

  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     T  8.16 4.24 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 1.22 0.00 0.00 
  2     P  0.00 4.26 0.00 2.29 1.99 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 
  3     Y  8.01 4.60 0.00 2.95 2.98 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     D  8.37 4.94 0.00 2.63 2.62 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     I  7.10 4.21 1.67 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.57 0.00 0.00 
  6     N  8.34 4.53 0.00 2.66 2.73 0.00 0.00 6.92 7.08 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 
  7     Q  8.36 4.52 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 
  8     M  7.49 4.21 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 
  9     L  8.50 4.18 0.00 1.66 1.57 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00