============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 2 1.000 16.611 69.798 -11.424 -99.200 -91.000 TYR 30 0.840 10.589 72.113 9.034 -99.200 -91.000 HIS 31 0.900 10.630 70.674 4.109 -99.200 -91.000 HIS 53 0.900 -1.386 57.527 -12.683 -99.200 -91.000 HIS 56 0.900 1.443 61.170 -8.517 -99.200 -91.000 PHE 92 1.000 2.324 65.531 -12.387 -99.200 -91.000 TYR 106 0.840 5.702 50.138 -9.787 -99.200 -91.000 TYR 107 0.840 4.185 41.900 -9.680 -99.200 -91.000 TYR 116 0.840 18.670 53.276 -24.385 -99.200 -91.000 HIS 118 0.900 9.557 52.881 -17.806 -99.200 -91.000 PHE 119 1.000 13.970 54.892 -16.077 -99.200 -91.000 HIS 125 0.900 6.986 60.285 -26.796 -99.200 -91.000 TYR 133 0.840 13.588 56.461 -6.026 -99.200 -91.000 PHE 181 1.000 23.105 61.483 -15.190 -99.200 -91.000 PHE 194 1.000 25.161 59.113 -3.883 -99.200 -91.000 HIS 200 0.900 26.889 66.166 -8.426 -99.200 -91.000 HIS 225 0.900 34.232 73.884 4.198 -99.200 -91.000 PHE 226 1.000 33.609 66.143 1.796 -99.200 -91.000 HIS 240 0.900 20.435 60.574 8.467 -99.200 -91.000 PHE 244 1.000 14.135 55.014 6.165 -99.200 -91.000 TRP 254 1.040 3.946 59.119 16.406 -99.200 -91.000 TRP6 254 1.020 5.902 59.551 17.678 -99.200 -91.000 HIS 288 0.900 21.930 61.081 19.077 -99.200 -91.000