============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 -15.232 14.049 75.751 -99.200 -91.000 HIS 23 0.900 -27.861 19.432 89.861 -99.200 -91.000 TYR 26 0.840 -23.542 7.741 83.835 -99.200 -91.000 PHE 27 1.000 -21.072 15.203 80.523 -99.200 -91.000 HIS 30 0.900 -21.563 11.570 69.481 -99.200 -91.000 TYR 38 0.840 -19.260 23.918 56.199 -99.200 -91.000 PHE 42 1.000 -17.415 19.242 48.786 -99.200 -91.000 PHE 60 1.000 -10.014 12.597 74.509 -99.200 -91.000 TYR 62 0.840 -2.043 9.124 67.246 -99.200 -91.000 TRP 67 1.040 -15.757 10.520 62.796 -99.200 -91.000 TRP6 67 1.020 -17.394 8.870 63.283 -99.200 -91.000 HIS 77 0.900 -1.542 17.310 52.116 -99.200 -91.000 PHE 89 1.000 -17.777 20.629 71.107 -99.200 -91.000 PHE 90 1.000 -16.721 18.285 78.991 -99.200 -91.000 HIS 94 0.900 -33.002 19.413 74.357 -99.200 -91.000 TYR 95 0.840 -31.006 24.769 83.083 -99.200 -91.000 TYR 105 0.840 -16.246 26.446 72.464 -99.200 -91.000 TYR 106 0.840 -12.768 22.549 80.168 -99.200 -91.000 TYR 124 0.840 -4.236 19.042 50.491 -99.200 -91.000 HIS 132 0.900 -16.163 26.166 54.669 -99.200 -91.000 TYR 149 0.840 -6.103 37.371 56.883 -99.200 -91.000 PHE 152 1.000 -10.410 32.020 52.728 -99.200 -91.000 PHE 160 1.000 -15.066 33.355 57.105 -99.200 -91.000 TRP 169 1.040 -14.570 35.911 67.585 -99.200 -91.000 TRP6 169 1.020 -13.368 36.297 65.583 -99.200 -91.000 PHE 185 1.000 -7.740 36.688 51.456 -99.200 -91.000 HIS 186 0.900 -16.002 37.794 44.947 -99.200 -91.000 PHE 189 1.000 -20.350 28.159 46.837 -99.200 -91.000 PHE 213 1.000 -22.610 39.584 55.267 -99.200 -91.000 TYR 216 0.840 -17.589 42.883 51.684 -99.200 -91.000 TYR 232 0.840 -30.633 36.586 50.191 -99.200 -91.000 TYR 233 0.840 -29.484 31.554 42.552 -99.200 -91.000 TYR 238 0.840 -35.830 27.781 46.862 -99.200 -91.000 TYR 239 0.840 -38.471 30.185 53.804 -99.200 -91.000 TYR 243 0.840 -38.562 19.309 55.605 -99.200 -91.000 PHE 261 1.000 -25.879 26.124 48.479 -99.200 -91.000 TYR 265 0.840 -21.717 25.966 42.470 -99.200 -91.000 TYR 266 0.840 -17.785 23.134 43.877 -99.200 -91.000 PHE 269 1.000 -28.472 17.800 43.265 -99.200 -91.000 TYR 277 0.840 -31.830 16.691 46.880 -99.200 -91.000 PHE 304 1.000 -36.614 14.734 55.291 -99.200 -91.000