============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 2 0.840 -25.046 -11.821 -16.869 -99.200 -91.000 TYR 16 0.840 -28.572 -14.987 -16.024 -99.200 -91.000 TRP 23 1.040 -32.600 -13.933 -8.134 -99.200 -91.000 TRP6 23 1.020 -32.814 -14.604 -5.898 -99.200 -91.000 HIS 25 0.900 -26.830 -5.624 -8.262 -99.200 -91.000 PHE 31 1.000 -15.348 5.056 -15.333 -99.200 -91.000 TYR 36 0.840 -16.932 1.026 -19.199 -99.200 -91.000 TRP 56 1.040 -21.437 3.128 -11.487 -99.200 -91.000 TRP6 56 1.020 -20.252 2.090 -13.247 -99.200 -91.000 HIS 83 0.900 -14.088 -1.701 -5.990 -99.200 -91.000 PHE 84 1.000 -11.513 3.557 -3.122 -99.200 -91.000 HIS 85 0.900 -12.390 2.586 -7.459 -99.200 -91.000 TYR 103 0.840 -23.396 -4.870 7.949 -99.200 -91.000 HIS 122 0.900 -24.016 -1.113 10.817 -99.200 -91.000 PHE 136 1.000 -22.500 -9.519 6.541 -99.200 -91.000 PHE 142 1.000 -9.636 -15.267 0.119 -99.200 -91.000 TYR 143 0.840 -7.510 -7.523 1.687 -99.200 -91.000 HIS 148 0.900 -10.831 -2.069 -9.861 -99.200 -91.000 TYR 156 0.840 -17.436 -20.397 -2.973 -99.200 -91.000 TYR 164 0.840 -19.813 -9.789 -6.979 -99.200 -91.000 HIS 170 0.900 -10.079 -7.011 -15.408 -99.200 -91.000 TRP 188 1.040 -5.725 -7.828 -10.360 -99.200 -91.000 TRP6 188 1.020 -6.712 -5.998 -11.450 -99.200 -91.000 HIS 198 0.900 -9.757 -19.495 1.266 -99.200 -91.000 TYR 199 0.840 -13.424 -18.693 -1.972 -99.200 -91.000 HIS 209 0.900 -17.609 -3.007 -14.451 -99.200 -91.000 HIS 220 0.900 -9.397 -12.974 -20.241 -99.200 -91.000 HIS 228 0.900 -2.000 -1.631 -17.852 -99.200 -91.000