============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 2 1.000 17.940 92.935 37.335 -99.200 -91.000 HIS 11 0.900 10.744 87.539 22.469 -99.200 -91.000 HIS 20 0.900 -4.045 84.779 40.670 -99.200 -91.000 PHE 34 1.000 2.175 76.650 43.555 -99.200 -91.000 PHE 36 1.000 -3.532 71.433 35.888 -99.200 -91.000 PHE 47 1.000 5.644 81.376 44.545 -99.200 -91.000 HIS 60 0.900 -5.029 86.617 48.183 -99.200 -91.000 HIS 62 0.900 -1.371 89.698 54.949 -99.200 -91.000 HIS 63 0.900 -6.632 88.367 59.087 -99.200 -91.000 HIS 74 0.900 -16.383 68.701 61.705 -99.200 -91.000 TRP 75 1.040 -16.551 73.438 54.478 -99.200 -91.000 TRP6 75 1.020 -14.697 73.657 53.034 -99.200 -91.000 TYR 87 0.840 4.812 74.300 58.725 -99.200 -91.000 TYR 104 0.840 -11.856 82.480 47.031 -99.200 -91.000 PHE 108 1.000 -11.825 80.945 41.592 -99.200 -91.000 PHE 113 1.000 -13.886 69.257 48.872 -99.200 -91.000 HIS 118 0.900 -0.688 68.826 55.548 -99.200 -91.000 TYR 132 0.840 9.260 69.964 37.908 -99.200 -91.000 TYR 138 0.840 12.239 81.744 33.506 -99.200 -91.000 HIS 149 0.900 6.682 100.953 57.698 -99.200 -91.000 HIS 151 0.900 13.503 98.683 57.613 -99.200 -91.000 TYR 167 0.840 15.133 74.560 49.347 -99.200 -91.000 HIS 174 0.900 4.045 90.203 41.098 -99.200 -91.000 PHE 176 1.000 -1.579 94.863 44.329 -99.200 -91.000 TRP 178 1.040 4.672 99.928 43.882 -99.200 -91.000 TRP6 178 1.020 4.412 101.660 42.314 -99.200 -91.000 TYR 195 0.840 8.379 98.667 41.738 -99.200 -91.000 TYR 205 0.840 -2.958 103.505 42.170 -99.200 -91.000 TRP 223 1.040 2.720 99.019 35.510 -99.200 -91.000 TRP6 223 1.020 1.688 99.825 33.554 -99.200 -91.000 TYR 226 0.840 -8.176 94.291 37.664 -99.200 -91.000 PHE 227 1.000 -9.160 91.990 33.413 -99.200 -91.000 HIS 239 0.900 6.392 96.400 25.823 -99.200 -91.000 TRP 248 1.040 -2.401 92.036 38.180 -99.200 -91.000 TRP6 248 1.020 -4.026 92.363 39.842 -99.200 -91.000 TYR 270 0.840 -10.582 79.568 35.084 -99.200 -91.000 TRP 284 1.040 2.789 78.309 26.220 -99.200 -91.000 TRP6 284 1.020 0.986 77.723 24.806 -99.200 -91.000