============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 2 0.900 18.441 23.873 11.493 -99.200 -91.000 PHE 4 1.000 31.461 17.654 17.968 -99.200 -91.000 TYR 24 0.840 11.849 10.788 16.227 -99.200 -91.000 HIS 48 0.900 35.612 -3.827 6.170 -99.200 -91.000 HIS 53 0.900 34.378 0.730 8.345 -99.200 -91.000 PHE 55 1.000 28.096 7.831 13.040 -99.200 -91.000 PHE 73 1.000 35.793 14.150 6.235 -99.200 -91.000 TYR 74 0.840 42.265 15.113 9.576 -99.200 -91.000 TYR 76 0.840 44.857 9.977 13.390 -99.200 -91.000 HIS 77 0.900 46.140 1.600 11.666 -99.200 -91.000 HIS 105 0.900 29.118 24.500 8.952 -99.200 -91.000 PHE 107 1.000 28.722 15.427 3.656 -99.200 -91.000 TYR 111 0.840 22.689 14.315 3.578 -99.200 -91.000 PHE 134 1.000 35.809 19.417 14.527 -99.200 -91.000 HIS 146 0.900 28.064 6.842 33.417 -99.200 -91.000 PHE 160 1.000 32.071 25.327 36.111 -99.200 -91.000 HIS 165 0.900 33.900 26.681 27.124 -99.200 -91.000 TYR 169 0.840 24.700 22.776 27.914 -99.200 -91.000 PHE 182 1.000 18.293 7.035 35.248 -99.200 -91.000 HIS 183 0.900 13.993 3.852 35.748 -99.200 -91.000 TYR 189 0.840 21.205 16.439 42.195 -99.200 -91.000 PHE 193 1.000 21.239 19.943 37.004 -99.200 -91.000 PHE 204 1.000 18.982 9.048 22.219 -99.200 -91.000 PHE 213 1.000 19.663 21.173 21.539 -99.200 -91.000