NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3776 8.2893 120.3136 55.1191 33.3416 174.5747
  2     F  4.6801 8.7507 117.9510 53.6228 40.1605 173.5838
  3     S  4.4997 10.0014 121.9481 57.2299 65.4438 175.8889
  4     I  3.5810 8.0780 125.8137 64.5144 36.7497 178.3143
  5     D  4.3444 8.0770 119.2184 57.4728 40.4315 178.4107
  6     N  4.3441 8.0726 115.4290 56.4944 38.6805 177.0432
  7     I  3.8713 7.2488 119.5556 64.2148 37.2117 178.2214
  8     L  4.1185 7.9411 118.7356 57.0378 41.8576 176.8783
  9     A  4.2668 8.2190 125.4542 52.2879 18.9402 176.8438

  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     M  8.29 4.38 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 
  2     F  8.75 4.68 0.00 2.99 2.91 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     S  10.00 4.50 0.00 3.93 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 
  4     I  8.08 3.58 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.84 0.00 0.00 
  5     D  8.08 4.34 0.00 2.67 2.72 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 
  6     N  8.07 4.34 0.00 2.88 2.93 0.00 0.00 6.92 7.45 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 
  7     I  7.25 3.87 1.88 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 0.82 0.00 0.00 
  8     L  7.94 4.12 0.00 1.71 1.69 0.89 0.70 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 
  9     A  8.22 4.27 1.21 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