============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 57.870-212.521 27.906 -99.200 -91.000 PHE 14 1.000 53.792-218.640 22.770 -99.200 -91.000 TYR 18 0.840 53.074-218.195 16.927 -99.200 -91.000 HIS 65 0.900 68.940-187.772 6.087 -99.200 -91.000 HIS 83 0.900 56.787-193.079 13.996 -99.200 -91.000 HIS 91 0.900 66.456-184.433 14.593 -99.200 -91.000 TYR 94 0.840 59.761-180.392 16.931 -99.200 -91.000 TYR 95 0.840 66.278-181.059 17.872 -99.200 -91.000 PHE 115 1.000 52.959-206.914 20.082 -99.200 -91.000 PHE 130 1.000 54.109-201.965 12.755 -99.200 -91.000 HIS 139 0.900 76.815-189.609 4.911 -99.200 -91.000 TYR 145 0.840 78.123-193.314 2.313 -99.200 -91.000 PHE 148 1.000 71.278-198.514 12.102 -99.200 -91.000 HIS 149 0.900 66.624-207.365 10.258 -99.200 -91.000 PHE 156 1.000 68.030-199.806 16.503 -99.200 -91.000 TYR 157 0.840 71.505-207.413 16.362 -99.200 -91.000 TYR 159 0.840 72.545-207.584 10.322 -99.200 -91.000 TRP 179 1.040 80.750-205.873 3.401 -99.200 -91.000 TRP6 179 1.020 82.203-205.540 5.235 -99.200 -91.000 HIS 180 0.900 86.459-206.170 -0.434 -99.200 -91.000 PHE 218 1.000 66.082-194.211 -1.616 -99.200 -91.000 TYR 221 0.840 71.217-197.754 -8.808 -99.200 -91.000