============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 2 0.900 16.272 -11.003 35.284 -99.200 -91.000 TRP 15 1.040 30.833 -3.704 48.094 -99.200 -91.000 TRP6 15 1.020 30.119 -1.452 47.960 -99.200 -91.000 TYR 35 0.840 21.333 15.861 46.741 -99.200 -91.000 TRP 37 1.040 16.606 18.115 50.947 -99.200 -91.000 TRP6 37 1.020 17.520 19.211 49.058 -99.200 -91.000 PHE 41 1.000 15.840 12.467 58.771 -99.200 -91.000 PHE 42 1.000 22.045 12.107 59.961 -99.200 -91.000 PHE 45 1.000 25.189 12.140 63.445 -99.200 -91.000 HIS 63 0.900 23.794 6.884 60.527 -99.200 -91.000 PHE 71 1.000 24.754 -0.462 49.073 -99.200 -91.000 HIS 77 0.900 21.481 -12.952 52.041 -99.200 -91.000 PHE 85 1.000 18.681 -4.346 52.757 -99.200 -91.000 HIS 92 0.900 16.007 3.327 58.212 -99.200 -91.000 HIS 97 0.900 8.829 9.126 63.148 -99.200 -91.000 PHE 103 1.000 15.457 5.102 52.817 -99.200 -91.000 HIS 116 0.900 36.686 11.791 43.607 -99.200 -91.000 HIS 117 0.900 37.509 4.949 46.457 -99.200 -91.000 PHE 118 1.000 36.469 1.260 42.814 -99.200 -91.000 PHE 122 1.000 30.812 3.541 38.679 -99.200 -91.000 TYR 130 0.840 28.236 -1.122 41.768 -99.200 -91.000 HIS 143 0.900 7.604 -4.622 50.333 -99.200 -91.000 TYR 145 0.840 9.254 4.484 54.979 -99.200 -91.000 HIS 146 0.900 2.454 1.787 59.238 -99.200 -91.000