============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 1 0.900 -8.582 4.549 125.653 -99.200 -91.000 HIS 6 0.900 -3.052 1.318 135.932 -99.200 -91.000 PHE 7 1.000 -1.366 5.489 142.570 -99.200 -91.000 TRP 19 1.040 5.761 6.326 123.303 -99.200 -91.000 TRP6 19 1.020 6.458 5.575 125.436 -99.200 -91.000 PHE 21 1.000 8.091 15.172 118.241 -99.200 -91.000 HIS 31 0.900 4.534 12.404 132.769 -99.200 -91.000 HIS 34 0.900 0.124 18.975 126.861 -99.200 -91.000 HIS 39 0.900 -1.394 11.842 135.689 -99.200 -91.000 TYR 47 0.840 -2.193 8.949 139.554 -99.200 -91.000 TYR 55 0.840 11.618 22.094 137.885 -99.200 -91.000 TYR 64 0.840 19.586 3.701 145.209 -99.200 -91.000 PHE 65 1.000 14.382 9.256 139.574 -99.200 -91.000 TYR 67 0.840 11.157 14.457 139.044 -99.200 -91.000 HIS 102 0.900 4.319 1.715 153.896 -99.200 -91.000 TRP 115 1.040 12.873 0.636 149.698 -99.200 -91.000 TRP6 115 1.020 12.883 0.141 147.384 -99.200 -91.000 HIS 132 0.900 23.589 19.416 133.603 -99.200 -91.000 TYR 135 0.840 22.678 6.102 134.890 -99.200 -91.000 TYR 143 0.840 7.517 2.336 131.690 -99.200 -91.000 TYR 147 0.840 13.264 4.285 138.761 -99.200 -91.000 TYR 152 0.840 7.905 13.430 151.802 -99.200 -91.000 TRP 153 1.040 16.025 16.324 151.208 -99.200 -91.000 TRP6 153 1.020 16.213 14.362 149.888 -99.200 -91.000 PHE 161 1.000 14.739 32.222 145.066 -99.200 -91.000 TRP 164 1.040 8.785 20.762 149.492 -99.200 -91.000 TRP6 164 1.020 8.927 19.368 151.399 -99.200 -91.000 TYR 166 0.840 9.253 15.024 146.078 -99.200 -91.000 TRP 178 1.040 20.875 2.077 132.956 -99.200 -91.000 TRP6 178 1.020 18.830 2.715 133.957 -99.200 -91.000 TYR 195 0.840 11.240 8.557 114.786 -99.200 -91.000 TYR 199 0.840 9.422 13.907 113.350 -99.200 -91.000