============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 7 1.040 12.679 61.673 16.507 -99.200 -91.000 TRP6 7 1.020 13.603 61.096 14.417 -99.200 -91.000 HIS 12 0.900 0.607 65.402 10.090 -99.200 -91.000 TRP 14 1.040 7.970 58.271 5.530 -99.200 -91.000 TRP6 14 1.020 9.481 59.434 4.119 -99.200 -91.000 HIS 24 0.900 4.360 60.955 -1.548 -99.200 -91.000 PHE 33 1.000 17.607 59.068 -11.187 -99.200 -91.000 HIS 36 0.900 21.675 67.831 -7.371 -99.200 -91.000 PHE 43 1.000 20.297 55.034 -8.884 -99.200 -91.000 PHE 46 1.000 16.419 52.055 -12.269 -99.200 -91.000 HIS 48 0.900 17.780 52.399 -19.664 -99.200 -91.000 HIS 64 0.900 16.360 51.574 -6.453 -99.200 -91.000 HIS 81 0.900 16.610 54.930 20.120 -99.200 -91.000 HIS 82 0.900 19.344 56.296 12.472 -99.200 -91.000 HIS 93 0.900 22.927 52.555 -0.868 -99.200 -91.000 HIS 97 0.900 24.529 49.714 -4.512 -99.200 -91.000 TYR 103 0.840 26.731 61.617 -6.563 -99.200 -91.000 PHE 106 1.000 24.226 66.661 -5.227 -99.200 -91.000 HIS 113 0.900 11.207 69.849 -6.037 -99.200 -91.000 HIS 116 0.900 7.852 74.094 -0.611 -99.200 -91.000 HIS 119 0.900 2.091 65.691 0.697 -99.200 -91.000 PHE 123 1.000 7.899 69.538 4.270 -99.200 -91.000 PHE 138 1.000 20.002 58.131 5.557 -99.200 -91.000 TYR 146 0.840 28.863 56.037 2.926 -99.200 -91.000 TYR 151 0.840 32.485 55.604 -0.406 -99.200 -91.000