============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 16.099 -20.272 -48.038 -99.200 -91.000 PHE 29 1.000 10.646 -17.077 -47.517 -99.200 -91.000 TYR 32 0.840 13.697 -25.224 -48.058 -99.200 -91.000 TRP 33 1.040 6.643 -26.663 -43.283 -99.200 -91.000 TRP6 33 1.020 4.958 -26.735 -41.626 -99.200 -91.000 TRP 36 1.040 9.839 -15.305 -36.802 -99.200 -91.000 TRP6 36 1.020 11.486 -13.657 -37.038 -99.200 -91.000 TRP 47 1.040 9.558 -23.706 -32.334 -99.200 -91.000 TRP6 47 1.020 7.245 -24.120 -32.251 -99.200 -91.000 TYR 60 0.840 1.487 -18.300 -33.615 -99.200 -91.000 PHE 68 1.000 5.604 -14.439 -28.958 -99.200 -91.000 TYR 80 0.840 7.108 -9.516 -43.365 -99.200 -91.000 TYR 94 0.840 12.537 -11.924 -30.019 -99.200 -91.000 TYR 95 0.840 19.370 -16.309 -32.405 -99.200 -91.000 PHE 101 1.000 7.534 -30.502 -42.216 -99.200 -91.000 TYR 104 0.840 8.153 -39.453 -49.428 -99.200 -91.000 HIS 106 0.900 8.943 -41.488 -40.121 -99.200 -91.000 TYR 107 0.840 16.650 -34.443 -41.608 -99.200 -91.000 TYR 111 0.840 21.741 -23.358 -44.474 -99.200 -91.000 TRP 112 1.040 19.572 -22.150 -36.440 -99.200 -91.000 TRP6 112 1.020 18.543 -21.808 -34.348 -99.200 -91.000 PHE 131 1.000 36.429 6.826 -21.402 -99.200 -91.000 TYR 154 0.840 27.267 -0.909 -24.255 -99.200 -91.000 PHE 155 1.000 19.116 0.298 -21.605 -99.200 -91.000 TRP 163 1.040 40.447 -4.498 -31.602 -99.200 -91.000 TRP6 163 1.020 41.565 -2.739 -30.503 -99.200 -91.000 HIS 173 0.900 40.907 -13.503 -26.441 -99.200 -91.000 PHE 175 1.000 37.877 -10.124 -21.994 -99.200 -91.000 TYR 185 0.840 23.614 -4.023 -20.642 -99.200 -91.000 TYR 203 0.840 48.698 -2.204 -32.475 -99.200 -91.000 HIS 209 0.900 24.513 1.888 -28.371 -99.200 -91.000