============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 1 0.900 -27.956 13.011 40.900 -99.200 -91.000 HIS 2 0.900 -27.338 13.024 32.609 -99.200 -91.000 HIS 3 0.900 -26.120 18.989 37.846 -99.200 -91.000 HIS 4 0.900 -28.702 19.353 30.563 -99.200 -91.000 HIS 5 0.900 -23.527 23.771 34.548 -99.200 -91.000 PHE 11 1.000 -16.551 21.497 31.048 -99.200 -91.000 HIS 23 0.900 -21.570 16.754 13.718 -99.200 -91.000 PHE 31 1.000 -25.217 12.401 27.330 -99.200 -91.000 PHE 41 1.000 -23.068 11.206 32.942 -99.200 -91.000 TYR 56 0.840 -11.635 10.805 38.165 -99.200 -91.000 PHE 70 1.000 -10.085 8.110 34.598 -99.200 -91.000 PHE 80 1.000 -19.207 2.512 39.051 -99.200 -91.000 TYR 87 0.840 -18.013 -13.109 20.430 -99.200 -91.000 PHE 98 1.000 -17.470 10.226 10.673 -99.200 -91.000 HIS 99 0.900 -10.469 7.046 5.311 -99.200 -91.000 PHE 101 1.000 -20.321 11.115 6.039 -99.200 -91.000 PHE 104 1.000 -20.475 10.385 -1.438 -99.200 -91.000 TYR 117 0.840 -22.968 5.842 -2.602 -99.200 -91.000 TYR 130 0.840 -18.588 -8.588 13.592 -99.200 -91.000 HIS 137 0.900 -23.463 -14.905 21.947 -99.200 -91.000 PHE 152 1.000 -27.782 -2.583 20.158 -99.200 -91.000 HIS 170 0.900 -28.558 9.288 13.659 -99.200 -91.000 HIS 178 0.900 -31.096 17.575 3.779 -99.200 -91.000 PHE 179 1.000 -26.596 18.319 3.490 -99.200 -91.000 TYR 194 0.840 -24.875 -1.355 14.865 -99.200 -91.000 PHE 204 1.000 -27.777 6.214 18.429 -99.200 -91.000 TYR 206 0.840 -34.513 8.811 26.068 -99.200 -91.000 HIS 210 0.900 -34.172 17.498 15.064 -99.200 -91.000 TYR 218 0.840 -20.885 16.116 7.997 -99.200 -91.000