NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  4000   M  4.4376 8.3049 118.2288 56.0914 32.5779 173.9052
  4001   Y  3.8298 8.8726 117.7606 57.2706 37.0691 167.6615
  4002   W  4.3329 8.4962 130.4755 57.7969 34.6818 174.3632
  4003   Y  4.6147 8.4718 116.8107 55.9897 35.7663 175.8696
  4004   P  3.3119 0.0000   0.0000 63.3902 33.5024 175.4721
  4005   Y  4.1062 7.7659 121.0549 58.2529 38.3209 175.8837

  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   
  4000   M  8.30 4.44 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.75 0.00 
  4001   Y  8.87 3.83 0.00 3.29 2.99 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 
  4002   W  8.50 4.33 0.00 3.39 3.09 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 
  4003   Y  8.47 4.61 0.00 3.21 3.07 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 
  4004   P  0.00 3.31 0.00 2.26 2.22 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 
  4005   Y  7.77 4.11 0.00 2.83 2.82 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