============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 24 0.840 -40.614 27.113 -11.130 -99.200 -91.000 TYR 27 0.840 -39.649 35.935 -9.709 -99.200 -91.000 TYR 28 0.840 -36.547 28.428 -12.899 -99.200 -91.000 TYR 29 0.840 -36.983 32.494 -4.996 -99.200 -91.000 PHE 40 1.000 -31.234 28.447 2.141 -99.200 -91.000 TYR 42 0.840 -30.190 35.199 1.714 -99.200 -91.000 TYR 46 0.840 -24.978 47.771 -6.979 -99.200 -91.000 TRP 55 1.040 -29.726 36.282 -7.916 -99.200 -91.000 TRP6 55 1.020 -28.204 38.048 -7.699 -99.200 -91.000 PHE 62 1.000 -29.340 32.096 -11.946 -99.200 -91.000 PHE 63 1.000 -25.357 31.844 -19.383 -99.200 -91.000 TYR 66 0.840 -27.137 43.138 -9.635 -99.200 -91.000 HIS 74 0.900 -26.315 28.919 -4.840 -99.200 -91.000 TYR 75 0.840 -19.322 25.492 -9.229 -99.200 -91.000 TYR 76 0.840 -15.638 29.477 -7.340 -99.200 -91.000 TYR 81 0.840 -22.139 20.404 2.556 -99.200 -91.000 TYR 83 0.840 -10.883 20.721 1.979 -99.200 -91.000 TYR 84 0.840 -13.832 22.931 5.736 -99.200 -91.000 HIS 88 0.900 -10.270 17.983 6.487 -99.200 -91.000 TYR 93 0.840 -21.927 27.685 9.289 -99.200 -91.000 HIS 105 0.900 -23.995 42.640 -7.312 -99.200 -91.000 TYR 106 0.840 -21.628 44.832 3.079 -99.200 -91.000 TYR 110 0.840 -16.833 46.260 2.077 -99.200 -91.000 PHE 114 1.000 -18.310 41.682 6.054 -99.200 -91.000 TRP 115 1.040 -18.682 33.854 9.898 -99.200 -91.000 TRP6 115 1.020 -20.320 32.497 8.871 -99.200 -91.000 TYR 122 0.840 -18.375 36.153 -0.824 -99.200 -91.000 PHE 130 1.000 -9.514 42.678 -3.275 -99.200 -91.000 HIS 142 0.900 -9.243 34.234 4.513 -99.200 -91.000 HIS 146 0.900 -11.783 34.220 8.941 -99.200 -91.000 TYR 151 0.840 -20.967 27.519 14.536 -99.200 -91.000 TYR 157 0.840 -9.948 38.540 12.563 -99.200 -91.000 PHE 172 1.000 -7.947 23.576 6.912 -99.200 -91.000 PHE 178 1.000 -2.570 23.436 -4.618 -99.200 -91.000 TYR 179 0.840 -12.518 18.762 -3.106 -99.200 -91.000 TRP 186 1.040 1.205 25.985 -2.340 -99.200 -91.000 TRP6 186 1.020 0.503 25.078 -0.283 -99.200 -91.000 TYR 193 0.840 -4.409 42.746 -4.778 -99.200 -91.000 TYR 211 0.840 2.195 39.986 -2.721 -99.200 -91.000 HIS 216 0.900 12.744 33.662 12.124 -99.200 -91.000 TYR 217 0.840 7.223 34.678 17.623 -99.200 -91.000 TYR 221 0.840 2.006 45.818 13.326 -99.200 -91.000 HIS 231 0.900 -6.606 40.579 7.731 -99.200 -91.000 TYR 242 0.840 5.661 26.766 -0.042 -99.200 -91.000 HIS 250 0.900 11.790 30.947 5.553 -99.200 -91.000 TYR 251 0.840 14.768 33.951 7.400 -99.200 -91.000 PHE 267 1.000 -1.331 23.682 10.275 -99.200 -91.000 TYR 268 0.840 -11.382 19.086 10.394 -99.200 -91.000 TYR 274 0.840 -4.763 17.740 20.225 -99.200 -91.000 PHE 281 1.000 2.019 33.273 15.304 -99.200 -91.000 TYR 296 0.840 -0.089 11.439 9.386 -99.200 -91.000 PHE 310 1.000 4.407 25.331 13.588 -99.200 -91.000