============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 -5.652 17.886 96.422 -99.200 -91.000 TRP6 14 1.020 -5.597 18.416 98.697 -99.200 -91.000 PHE 19 1.000 1.133 5.558 82.913 -99.200 -91.000 TRP 37 1.040 -18.197 10.442 91.454 -99.200 -91.000 TRP6 37 1.020 -18.880 10.350 89.186 -99.200 -91.000 HIS 43 0.900 -6.942 20.205 77.341 -99.200 -91.000 TYR 47 0.840 -7.231 19.482 71.086 -99.200 -91.000 TRP 49 1.040 -3.032 17.944 68.811 -99.200 -91.000 TRP6 49 1.020 -1.848 18.150 70.823 -99.200 -91.000 PHE 53 1.000 -6.508 9.057 74.844 -99.200 -91.000 HIS 65 0.900 7.551 12.839 95.922 -99.200 -91.000 TYR 70 0.840 3.563 -0.165 91.703 -99.200 -91.000 TYR 84 0.840 -20.517 10.500 83.576 -99.200 -91.000 HIS 86 0.900 -20.973 21.452 80.471 -99.200 -91.000 TYR 89 0.840 -14.112 19.878 75.077 -99.200 -91.000 TRP 91 1.040 -14.369 19.783 69.824 -99.200 -91.000 TRP6 91 1.020 -13.439 20.212 67.723 -99.200 -91.000 PHE 110 1.000 -11.091 8.708 100.460 -99.200 -91.000 TYR 113 0.840 1.694 7.943 101.612 -99.200 -91.000 HIS 115 0.900 -8.577 13.280 102.969 -99.200 -91.000 TYR 132 0.840 -7.577 37.399 97.981 -99.200 -91.000 TRP 139 1.040 4.454 13.523 88.695 -99.200 -91.000 TRP6 139 1.020 2.317 13.002 89.503 -99.200 -91.000 TRP 146 1.040 5.403 23.626 74.621 -99.200 -91.000 TRP6 146 1.020 3.372 24.838 74.505 -99.200 -91.000 PHE 184 1.000 -9.286 30.640 88.119 -99.200 -91.000 TYR 188 0.840 4.117 35.196 90.452 -99.200 -91.000 PHE 207 1.000 -5.469 28.647 90.836 -99.200 -91.000 PHE 213 1.000 -13.417 33.386 105.775 -99.200 -91.000 TRP 217 1.040 -5.107 22.264 101.436 -99.200 -91.000 TRP6 217 1.020 -3.940 23.861 100.164 -99.200 -91.000 TYR 218 0.840 -13.063 24.808 100.219 -99.200 -91.000 TRP 225 1.040 -7.468 28.155 77.338 -99.200 -91.000 TRP6 225 1.020 -6.598 30.139 76.419 -99.200 -91.000 TYR 235 0.840 -0.905 37.827 82.664 -99.200 -91.000 PHE 237 1.000 -6.728 32.756 79.905 -99.200 -91.000 TYR 238 0.840 -4.689 27.842 86.034 -99.200 -91.000 HIS 240 0.900 -15.288 30.514 88.170 -99.200 -91.000 PHE 242 1.000 -19.823 28.587 92.905 -99.200 -91.000 TRP 247 1.040 -22.067 18.667 83.363 -99.200 -91.000 TRP6 247 1.020 -19.925 17.784 83.632 -99.200 -91.000 PHE 255 1.000 -27.621 3.831 89.385 -99.200 -91.000