============================================================================= 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. HIS 9 0.900 82.445 73.205 11.402 -99.200 -91.000 PHE 48 1.000 80.813 77.042 12.205 -99.200 -91.000 PHE 70 1.000 84.494 63.673 9.413 -99.200 -91.000 PHE 75 1.000 83.077 65.926 13.465 -99.200 -91.000 HIS 86 0.900 75.022 66.580 26.858 -99.200 -91.000 HIS 95 0.900 73.661 58.195 4.716 -99.200 -91.000 TYR 102 0.840 81.136 60.626 13.058 -99.200 -91.000 TYR 112 0.840 76.213 54.108 21.517 -99.200 -91.000 PHE 114 1.000 74.949 53.050 12.212 -99.200 -91.000 TYR 119 0.840 63.142 56.806 3.048 -99.200 -91.000 TYR 123 0.840 60.564 57.824 20.513 -99.200 -91.000 TYR 135 0.840 66.045 43.889 -1.808 -99.200 -91.000 PHE 145 1.000 66.607 51.682 15.583 -99.200 -91.000 PHE 160 1.000 63.071 63.593 9.000 -99.200 -91.000 TYR 188 0.840 88.043 71.899 2.758 -99.200 -91.000 PHE 204 1.000 64.502 73.683 -21.994 -99.200 -91.000 PHE 221 1.000 70.785 62.229 -26.206 -99.200 -91.000 TRP 243 1.040 82.348 59.543 -21.973 -99.200 -91.000 TRP6 243 1.020 80.605 57.936 -22.062 -99.200 -91.000 TYR 263 0.840 67.397 67.709 -14.469 -99.200 -91.000 HIS 274 0.900 70.810 63.249 -11.768 -99.200 -91.000 HIS 280 0.900 65.652 72.095 -7.181 -99.200 -91.000 PHE 296 1.000 59.594 56.951 -15.951 -99.200 -91.000 TYR 301 0.840 53.867 66.919 -18.117 -99.200 -91.000 PHE 308 1.000 70.528 56.312 -27.766 -99.200 -91.000