============================================================================= 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. TYR 31 0.840 20.715 11.545 -71.071 -99.200 -91.000 TYR 32 0.840 28.002 6.982 -73.112 -99.200 -91.000 TRP 33 1.040 21.201 4.690 -69.630 -99.200 -91.000 TRP6 33 1.020 19.701 6.039 -68.392 -99.200 -91.000 TRP 35 1.040 22.438 -2.857 -64.912 -99.200 -91.000 TRP6 35 1.020 20.270 -3.083 -63.987 -99.200 -91.000 TRP 46 1.040 30.712 0.531 -62.256 -99.200 -91.000 TRP6 46 1.020 32.492 -0.247 -63.610 -99.200 -91.000 TYR 51 0.840 29.899 2.722 -72.099 -99.200 -91.000 TYR 58 0.840 30.508 -6.083 -69.261 -99.200 -91.000 PHE 77 1.000 19.771 0.902 -67.938 -99.200 -91.000 TYR 91 0.840 22.084 -7.659 -58.288 -99.200 -91.000 TYR 92 0.840 20.535 0.214 -54.964 -99.200 -91.000 TYR 96 0.840 30.024 6.398 -66.750 -99.200 -91.000 HIS 97 0.900 26.217 14.351 -65.700 -99.200 -91.000 HIS 99 0.900 30.585 18.033 -70.976 -99.200 -91.000 PHE 100 1.000 30.669 17.315 -75.837 -99.200 -91.000 PHE 107 1.000 28.047 5.194 -61.258 -99.200 -91.000 TYR 109 0.840 18.372 12.233 -63.402 -99.200 -91.000 TRP 110 1.040 22.424 6.439 -57.935 -99.200 -91.000 TRP6 110 1.020 23.696 4.596 -57.171 -99.200 -91.000 PHE 129 1.000 5.255 -21.609 -34.101 -99.200 -91.000 TYR 152 0.840 9.538 -15.113 -43.639 -99.200 -91.000 PHE 153 1.000 13.415 -18.654 -50.467 -99.200 -91.000 TRP 161 1.040 1.363 -6.304 -33.950 -99.200 -91.000 TRP6 161 1.020 0.940 -8.172 -32.563 -99.200 -91.000 HIS 171 0.900 10.225 -0.988 -31.053 -99.200 -91.000 PHE 173 1.000 12.870 -6.591 -32.559 -99.200 -91.000 TYR 183 0.840 15.122 -14.974 -45.732 -99.200 -91.000 TYR 201 0.840 -3.710 -5.858 -27.341 -99.200 -91.000 HIS 207 0.900 5.925 -15.776 -47.851 -99.200 -91.000