============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.662 -10.936 -5.374 -99.200 -91.000 TRP6 12 1.020 -4.558 -11.042 -7.566 -99.200 -91.000 TYR 20 0.840 1.247 7.499 8.793 -99.200 -91.000 TRP 26 1.040 8.764 2.765 9.725 -99.200 -91.000 TRP6 26 1.020 9.045 4.463 8.129 -99.200 -91.000 HIS 28 0.900 -1.503 -0.225 4.380 -99.200 -91.000 TRP 39 1.040 10.725 4.912 -11.475 -99.200 -91.000 TRP6 39 1.020 10.123 7.132 -11.017 -99.200 -91.000 HIS 45 0.900 -6.666 9.211 -2.429 -99.200 -91.000 PHE 53 1.000 4.017 9.462 2.357 -99.200 -91.000 HIS 60 0.900 -0.332 -12.985 3.215 -99.200 -91.000 TYR 71 0.840 10.553 -3.964 6.163 -99.200 -91.000 HIS 80 0.900 -1.568 14.032 -14.621 -99.200 -91.000 TYR 82 0.840 -3.996 19.692 -16.572 -99.200 -91.000 TRP 83 1.040 -3.924 15.346 -6.494 -99.200 -91.000 TRP6 83 1.020 -5.969 14.204 -6.350 -99.200 -91.000 TYR 91 0.840 -6.180 15.026 -15.164 -99.200 -91.000 TYR 107 0.840 7.219 -15.215 -1.232 -99.200 -91.000 TYR 127 0.840 -10.220 -12.162 -7.611 -99.200 -91.000 TRP 131 1.040 -1.977 -5.715 3.970 -99.200 -91.000 TRP6 131 1.020 -0.551 -5.239 2.162 -99.200 -91.000 TYR 148 0.840 -15.372 -11.955 -9.546 -99.200 -91.000 TYR 154 0.840 -18.658 7.795 -18.891 -99.200 -91.000 TYR 160 0.840 -25.099 1.837 -11.086 -99.200 -91.000 TRP 161 1.040 -19.681 6.192 -8.142 -99.200 -91.000 TRP6 161 1.020 -19.163 7.397 -6.193 -99.200 -91.000 HIS 190 0.900 -3.984 -7.108 -8.696 -99.200 -91.000 TYR 197 0.840 -5.955 -12.301 -12.471 -99.200 -91.000 HIS 200 0.900 -7.084 -3.609 -17.488 -99.200 -91.000 PHE 205 1.000 -14.248 8.856 -6.689 -99.200 -91.000 PHE 220 1.000 -10.927 0.175 -8.327 -99.200 -91.000 TYR 226 0.840 -4.153 9.130 -15.865 -99.200 -91.000 TRP 229 1.040 2.044 11.756 -15.886 -99.200 -91.000 TRP6 229 1.020 2.023 10.571 -13.845 -99.200 -91.000