============================================================================= 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 -3.520 -8.225 47.386 -99.200 -91.000 TRP 15 1.040 -14.248 1.672 34.880 -99.200 -91.000 TRP6 15 1.020 -12.876 3.561 34.498 -99.200 -91.000 TYR 35 0.840 0.497 17.971 32.861 -99.200 -91.000 TRP 37 1.040 5.573 17.838 28.314 -99.200 -91.000 TRP6 37 1.020 4.996 19.529 29.859 -99.200 -91.000 PHE 41 1.000 4.615 11.082 22.583 -99.200 -91.000 PHE 42 1.000 -1.758 11.865 21.022 -99.200 -91.000 PHE 45 1.000 -4.808 12.006 17.211 -99.200 -91.000 HIS 63 0.900 -5.357 7.471 20.763 -99.200 -91.000 PHE 71 1.000 -7.512 3.133 33.654 -99.200 -91.000 HIS 77 0.900 -8.495 -9.177 32.491 -99.200 -91.000 PHE 85 1.000 -3.221 -2.470 30.711 -99.200 -91.000 HIS 92 0.900 1.095 2.474 24.132 -99.200 -91.000 HIS 97 0.900 9.882 4.752 18.236 -99.200 -91.000 PHE 103 1.000 2.642 4.669 28.900 -99.200 -91.000 HIS 116 0.900 -14.958 19.254 35.968 -99.200 -91.000 HIS 117 0.900 -18.953 12.899 35.005 -99.200 -91.000 PHE 118 1.000 -18.101 9.644 38.733 -99.200 -91.000 PHE 122 1.000 -11.773 10.607 42.666 -99.200 -91.000 TYR 130 0.840 -10.839 5.011 40.451 -99.200 -91.000 HIS 143 0.900 7.426 -5.985 33.166 -99.200 -91.000 TYR 145 0.840 8.145 1.960 27.009 -99.200 -91.000 HIS 146 0.900 13.458 -3.043 23.686 -99.200 -91.000