============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 18 0.840 -26.191 60.910 21.207 -99.200 -91.000 PHE 27 1.000 -29.672 64.984 19.445 -99.200 -91.000 HIS 28 0.900 -37.544 63.976 20.109 -99.200 -91.000 PHE 44 1.000 -16.615 73.758 24.321 -99.200 -91.000 HIS 51 0.900 -38.036 63.604 28.560 -99.200 -91.000 HIS 54 0.900 -30.877 58.416 31.997 -99.200 -91.000 PHE 56 1.000 -27.452 62.775 26.767 -99.200 -91.000 TYR 66 0.840 -15.732 68.481 13.592 -99.200 -91.000 HIS 78 0.900 -8.824 52.243 10.522 -99.200 -91.000 TYR 88 0.840 6.426 54.599 7.841 -99.200 -91.000 PHE 96 1.000 -0.514 73.436 -3.525 -99.200 -91.000 PHE 110 1.000 -5.293 61.318 9.961 -99.200 -91.000 TYR 124 0.840 -7.200 67.653 -9.458 -99.200 -91.000 PHE 130 1.000 -19.192 58.321 -4.431 -99.200 -91.000 TRP 135 1.040 -18.416 72.323 -0.516 -99.200 -91.000 TRP6 135 1.020 -20.366 73.223 -1.522 -99.200 -91.000 TRP 140 1.040 -20.725 68.204 10.707 -99.200 -91.000 TRP6 140 1.020 -19.413 66.246 10.992 -99.200 -91.000 PHE 143 1.000 -10.472 70.520 9.284 -99.200 -91.000 TYR 155 0.840 -7.068 57.893 -13.706 -99.200 -91.000 HIS 165 0.900 3.768 65.603 1.435 -99.200 -91.000 HIS 179 0.900 -0.873 63.707 -15.851 -99.200 -91.000 PHE 189 1.000 8.115 61.197 0.970 -99.200 -91.000 PHE 190 1.000 2.450 58.429 -7.050 -99.200 -91.000 TYR 193 0.840 -6.260 52.490 0.881 -99.200 -91.000 HIS 204 0.900 6.546 49.028 -6.064 -99.200 -91.000 PHE 210 1.000 7.267 58.528 -15.696 -99.200 -91.000 TYR 213 0.840 11.298 61.782 -14.847 -99.200 -91.000 PHE 214 1.000 8.115 60.015 -8.648 -99.200 -91.000 PHE 225 1.000 -2.769 42.379 15.213 -99.200 -91.000 HIS 243 0.900 -5.188 44.269 2.365 -99.200 -91.000 TYR 246 0.840 -0.967 45.014 -0.246 -99.200 -91.000 PHE 249 1.000 4.270 56.015 2.390 -99.200 -91.000