============================================================================= 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 36 1.000 57.004 23.154 39.952 -99.200 -91.000 TRP 39 1.040 65.277 19.322 29.107 -99.200 -91.000 TRP6 39 1.020 67.339 20.300 28.475 -99.200 -91.000 TYR 53 0.840 54.594 17.796 32.107 -99.200 -91.000 PHE 66 1.000 62.149 15.882 20.870 -99.200 -91.000 PHE 75 1.000 67.287 18.683 36.425 -99.200 -91.000 TYR 90 0.840 66.351 20.975 20.816 -99.200 -91.000 TYR 91 0.840 66.020 29.057 24.209 -99.200 -91.000 TRP 93 1.040 61.004 28.503 32.895 -99.200 -91.000 TRP6 93 1.020 59.439 27.245 34.143 -99.200 -91.000 HIS 97 0.900 65.282 27.331 44.260 -99.200 -91.000 PHE 98 1.000 60.327 36.180 42.600 -99.200 -91.000 TYR 100 0.840 59.007 31.145 38.720 -99.200 -91.000 PHE 102 1.000 62.688 30.914 29.837 -99.200 -91.000 PHE 122 1.000 67.274 37.992 -9.070 -99.200 -91.000 PHE 139 1.000 67.533 36.935 -3.663 -99.200 -91.000 PHE 143 1.000 75.089 28.924 1.584 -99.200 -91.000 TYR 144 0.840 75.857 21.274 5.875 -99.200 -91.000 TRP 152 1.040 78.052 42.518 -3.986 -99.200 -91.000 TRP6 152 1.020 76.414 42.295 -5.677 -99.200 -91.000 TYR 176 0.840 73.073 26.557 7.500 -99.200 -91.000 TYR 189 0.840 72.684 50.109 -12.311 -99.200 -91.000 HIS 192 0.900 81.564 52.366 -12.369 -99.200 -91.000 TYR 195 0.840 76.762 47.400 -11.792 -99.200 -91.000 HIS 201 0.900 79.506 26.187 0.151 -99.200 -91.000 PHE 212 1.000 73.254 43.495 -13.554 -99.200 -91.000