============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 89.471 12.271 -14.256 -99.200 -91.000 PHE 23 1.000 88.727 13.877 3.501 -99.200 -91.000 TYR 44 0.840 80.630 0.297 4.211 -99.200 -91.000 HIS 46 0.900 80.295 10.927 6.056 -99.200 -91.000 TRP 47 1.040 74.033 3.045 6.370 -99.200 -91.000 TRP6 47 1.020 74.169 0.715 6.083 -99.200 -91.000 HIS 54 0.900 75.598 13.026 19.060 -99.200 -91.000 TYR 76 0.840 85.632 1.273 3.104 -99.200 -91.000 TRP 86 1.040 84.814 6.285 14.224 -99.200 -91.000 TRP6 86 1.020 83.563 5.734 12.282 -99.200 -91.000 TYR 87 0.840 92.310 0.141 17.525 -99.200 -91.000 PHE 88 1.000 88.448 2.146 10.914 -99.200 -91.000 PHE 98 1.000 101.092 -6.718 6.658 -99.200 -91.000 TYR 100 0.840 102.296 -0.254 -2.432 -99.200 -91.000 TYR 137 0.840 87.285 -4.735 17.744 -99.200 -91.000 PHE 139 1.000 83.380 0.726 12.468 -99.200 -91.000 PHE 146 1.000 83.233 -7.993 -7.499 -99.200 -91.000 PHE 147 1.000 89.362 -13.681 -3.396 -99.200 -91.000 PHE 161 1.000 85.146 -11.793 1.838 -99.200 -91.000 HIS 167 0.900 80.541 -20.328 9.615 -99.200 -91.000 TRP 178 1.040 74.870 -1.381 14.339 -99.200 -91.000 TRP6 178 1.020 72.931 -2.165 13.223 -99.200 -91.000 TYR 179 0.840 78.817 -9.162 13.500 -99.200 -91.000 TYR 206 0.840 67.450 -2.907 2.354 -99.200 -91.000 PHE 209 1.000 77.056 2.992 1.032 -99.200 -91.000 TRP 217 1.040 71.897 -1.311 -3.964 -99.200 -91.000 TRP6 217 1.020 72.955 -1.712 -6.061 -99.200 -91.000 TRP 221 1.040 74.839 -9.415 10.148 -99.200 -91.000 TRP6 221 1.020 76.036 -9.002 8.124 -99.200 -91.000 PHE 223 1.000 73.969 -12.194 15.447 -99.200 -91.000 TYR 224 0.840 75.000 -5.603 21.282 -99.200 -91.000