============================================================================= 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 39.173 -11.829 -34.278 -99.200 -91.000 TYR 16 0.840 42.531 -15.091 -35.047 -99.200 -91.000 TRP 23 1.040 46.767 -14.198 -42.914 -99.200 -91.000 TRP6 23 1.020 47.144 -14.792 -45.184 -99.200 -91.000 HIS 25 0.900 41.198 -5.765 -42.952 -99.200 -91.000 PHE 31 1.000 29.007 4.967 -35.740 -99.200 -91.000 TYR 36 0.840 30.792 1.137 -32.232 -99.200 -91.000 TRP 56 1.040 35.269 3.156 -39.626 -99.200 -91.000 TRP6 56 1.020 34.074 2.297 -37.766 -99.200 -91.000 HIS 83 0.900 27.991 -1.696 -45.109 -99.200 -91.000 PHE 84 1.000 25.519 3.604 -47.761 -99.200 -91.000 HIS 85 0.900 26.676 2.369 -43.397 -99.200 -91.000 TYR 103 0.840 37.558 -4.895 -59.151 -99.200 -91.000 HIS 122 0.900 38.038 -1.103 -61.982 -99.200 -91.000 PHE 136 1.000 36.565 -9.615 -57.720 -99.200 -91.000 PHE 142 1.000 23.656 -15.353 -51.300 -99.200 -91.000 TYR 143 0.840 21.344 -7.585 -52.666 -99.200 -91.000 HIS 148 0.900 24.921 -2.297 -41.210 -99.200 -91.000 TYR 156 0.840 31.407 -20.676 -48.161 -99.200 -91.000 TYR 164 0.840 34.112 -10.016 -44.368 -99.200 -91.000 HIS 170 0.900 24.011 -7.266 -35.679 -99.200 -91.000 TRP 188 1.040 19.661 -7.953 -40.597 -99.200 -91.000 TRP6 188 1.020 20.433 -5.950 -39.575 -99.200 -91.000 HIS 198 0.900 24.233 -19.540 -52.044 -99.200 -91.000 TYR 199 0.840 27.342 -18.827 -48.828 -99.200 -91.000 HIS 209 0.900 31.659 -2.927 -36.801 -99.200 -91.000 HIS 220 0.900 23.606 -12.911 -30.807 -99.200 -91.000 HIS 228 0.900 16.151 -1.946 -33.224 -99.200 -91.000