============================================================================= 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 14.999 -11.872 36.640 -99.200 -91.000 TRP 15 1.040 30.633 -3.772 47.658 -99.200 -91.000 TRP6 15 1.020 29.869 -1.536 47.557 -99.200 -91.000 TYR 35 0.840 21.175 15.977 45.936 -99.200 -91.000 TRP 37 1.040 16.408 18.113 50.351 -99.200 -91.000 TRP6 37 1.020 17.425 19.165 48.499 -99.200 -91.000 PHE 41 1.000 15.793 12.484 57.582 -99.200 -91.000 PHE 42 1.000 21.678 12.003 58.986 -99.200 -91.000 PHE 45 1.000 24.891 11.888 62.621 -99.200 -91.000 HIS 63 0.900 23.552 6.811 59.808 -99.200 -91.000 PHE 71 1.000 24.647 -0.508 48.119 -99.200 -91.000 HIS 77 0.900 21.753 -12.250 51.319 -99.200 -91.000 PHE 85 1.000 18.696 -3.788 52.061 -99.200 -91.000 HIS 92 0.900 16.021 3.281 57.360 -99.200 -91.000 HIS 97 0.900 8.694 9.073 62.306 -99.200 -91.000 PHE 103 1.000 15.290 4.939 52.246 -99.200 -91.000 HIS 116 0.900 36.413 11.941 42.968 -99.200 -91.000 HIS 117 0.900 37.637 4.991 45.666 -99.200 -91.000 PHE 118 1.000 36.419 1.515 42.280 -99.200 -91.000 PHE 122 1.000 30.352 3.602 37.987 -99.200 -91.000 TYR 130 0.840 28.049 -0.898 41.293 -99.200 -91.000 HIS 143 0.900 7.383 -4.351 49.324 -99.200 -91.000 TYR 145 0.840 9.208 4.412 54.242 -99.200 -91.000 HIS 146 0.900 2.635 1.665 58.120 -99.200 -91.000