============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 10 0.840 13.067 27.730 21.936 -99.200 -91.000 TRP 16 1.040 4.426 27.794 29.536 -99.200 -91.000 TRP6 16 1.020 6.780 27.975 29.661 -99.200 -91.000 HIS 28 0.900 -3.465 54.981 32.519 -99.200 -91.000 TRP 30 1.040 -5.994 47.160 29.024 -99.200 -91.000 TRP6 30 1.020 -8.191 46.271 28.953 -99.200 -91.000 HIS 61 0.900 -2.650 36.560 21.321 -99.200 -91.000 HIS 83 0.900 13.976 35.983 31.800 -99.200 -91.000 HIS 85 0.900 16.999 33.066 29.563 -99.200 -91.000 HIS 88 0.900 9.778 35.062 30.017 -99.200 -91.000 HIS 122 0.900 23.240 29.688 34.314 -99.200 -91.000 PHE 123 1.000 18.312 28.326 29.764 -99.200 -91.000 TYR 129 0.840 15.800 35.691 22.079 -99.200 -91.000 PHE 151 1.000 6.119 52.144 31.839 -99.200 -91.000 HIS 154 0.900 12.691 49.236 41.119 -99.200 -91.000 PHE 155 1.000 20.090 47.362 35.907 -99.200 -91.000 HIS 159 0.900 15.579 32.888 34.665 -99.200 -91.000 TRP 166 1.040 11.302 46.883 33.054 -99.200 -91.000 TRP6 166 1.020 12.302 49.005 32.722 -99.200 -91.000 TRP 168 1.040 3.040 50.326 35.154 -99.200 -91.000 TRP6 168 1.020 4.105 48.226 34.879 -99.200 -91.000 TYR 181 0.840 6.338 41.780 33.829 -99.200 -91.000 TYR 190 0.840 19.888 29.283 35.433 -99.200 -91.000 TYR 198 0.840 25.561 35.286 37.361 -99.200 -91.000 HIS 200 0.900 31.679 37.249 42.656 -99.200 -91.000 TYR 205 0.840 19.423 33.303 41.031 -99.200 -91.000 PHE 209 1.000 16.523 34.852 46.240 -99.200 -91.000 HIS 224 0.900 7.152 31.494 32.734 -99.200 -91.000 TRP 230 1.040 -1.331 38.215 38.919 -99.200 -91.000 TRP6 230 1.020 -3.162 39.489 38.140 -99.200 -91.000 TYR 232 0.840 -1.830 36.644 33.315 -99.200 -91.000 TYR 248 0.840 8.456 36.203 42.426 -99.200 -91.000 PHE 256 1.000 19.757 30.582 44.691 -99.200 -91.000