============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 16.144 5.141 95.624 -99.200 -91.000 HIS 10 0.900 27.119 14.967 88.901 -99.200 -91.000 TYR 14 0.840 25.442 3.409 83.837 -99.200 -91.000 TYR 17 0.840 16.390 14.226 78.520 -99.200 -91.000 TRP 21 1.040 10.666 17.272 65.614 -99.200 -91.000 TRP6 21 1.020 10.031 17.266 63.344 -99.200 -91.000 PHE 32 1.000 23.306 0.895 77.260 -99.200 -91.000 PHE 38 1.000 30.294 4.276 67.337 -99.200 -91.000 HIS 44 0.900 11.123 1.730 71.447 -99.200 -91.000 TRP 46 1.040 13.376 5.089 64.328 -99.200 -91.000 TRP6 46 1.020 14.022 3.451 62.751 -99.200 -91.000 HIS 57 0.900 20.361 14.318 90.146 -99.200 -91.000 PHE 68 1.000 22.692 19.595 73.311 -99.200 -91.000 HIS 77 0.900 20.561 -5.497 64.208 -99.200 -91.000 TYR 80 0.840 12.652 -1.157 65.517 -99.200 -91.000 PHE 85 1.000 7.817 -1.568 70.052 -99.200 -91.000 TRP 127 1.040 17.109 12.307 83.586 -99.200 -91.000 TRP6 127 1.020 18.956 11.364 82.457 -99.200 -91.000 HIS 136 0.900 7.701 12.762 79.977 -99.200 -91.000 HIS 138 0.900 11.393 18.900 86.128 -99.200 -91.000 HIS 159 0.900 0.144 -13.971 69.640 -99.200 -91.000 TYR 160 0.840 2.786 -6.115 70.281 -99.200 -91.000 TYR 161 0.840 9.506 -12.074 76.121 -99.200 -91.000 PHE 178 1.000 3.911 4.154 82.075 -99.200 -91.000 TYR 198 0.840 7.360 -5.094 73.880 -99.200 -91.000 PHE 215 1.000 20.016 -7.907 69.272 -99.200 -91.000 HIS 217 0.900 30.377 -11.385 65.866 -99.200 -91.000 TRP 218 1.040 24.802 -4.729 64.228 -99.200 -91.000 TRP6 218 1.020 23.328 -3.257 65.346 -99.200 -91.000 TYR 226 0.840 30.882 2.637 55.806 -99.200 -91.000