============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 2 1.000 69.438 23.197 -13.957 -99.200 -91.000 HIS 8 0.900 63.226 38.366 -5.898 -99.200 -91.000 TYR 32 0.840 75.504 19.382 -15.681 -99.200 -91.000 TYR 33 0.840 83.238 24.871 -17.766 -99.200 -91.000 TRP 36 1.040 78.019 34.336 -12.311 -99.200 -91.000 TRP6 36 1.020 76.272 34.807 -10.796 -99.200 -91.000 TYR 37 0.840 74.977 35.167 -19.736 -99.200 -91.000 PHE 50 1.000 84.452 32.605 -21.333 -99.200 -91.000 PHE 63 1.000 82.039 43.486 -12.822 -99.200 -91.000 TYR 87 0.840 75.596 42.634 -12.248 -99.200 -91.000 TYR 88 0.840 68.723 38.299 -15.629 -99.200 -91.000 TYR 92 0.840 76.144 23.273 -19.317 -99.200 -91.000 TYR 95 0.840 66.294 18.614 -24.123 -99.200 -91.000 PHE 99 1.000 69.733 32.660 -19.443 -99.200 -91.000 PHE 120 1.000 56.441 70.746 -23.678 -99.200 -91.000 PHE 141 1.000 61.954 60.337 -10.941 -99.200 -91.000 TYR 142 0.840 69.268 57.252 -6.486 -99.200 -91.000 TRP 150 1.040 47.945 64.735 -14.118 -99.200 -91.000 TRP6 150 1.020 48.896 66.173 -15.726 -99.200 -91.000 TYR 174 0.840 65.488 55.182 -10.757 -99.200 -91.000 TYR 179 0.840 52.137 61.119 -22.076 -99.200 -91.000 TRP 187 1.040 43.122 73.666 -23.020 -99.200 -91.000 TRP6 187 1.020 44.728 73.771 -21.292 -99.200 -91.000 HIS 190 0.900 38.234 72.941 -15.275 -99.200 -91.000 TYR 193 0.840 42.736 71.028 -16.413 -99.200 -91.000 HIS 199 0.900 62.440 62.083 -5.444 -99.200 -91.000