============================================================================= 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 57.769-212.169 27.783 -99.200 -91.000 PHE 14 1.000 53.581-218.277 22.713 -99.200 -91.000 TYR 18 0.840 52.849-217.699 16.775 -99.200 -91.000 HIS 65 0.900 68.621-187.426 5.123 -99.200 -91.000 HIS 83 0.900 56.661-192.604 13.734 -99.200 -91.000 HIS 91 0.900 66.293-184.008 14.116 -99.200 -91.000 TYR 94 0.840 59.338-179.891 16.206 -99.200 -91.000 TYR 95 0.840 66.005-180.746 17.567 -99.200 -91.000 PHE 115 1.000 52.925-206.219 19.856 -99.200 -91.000 PHE 130 1.000 53.731-201.600 12.582 -99.200 -91.000 HIS 139 0.900 76.363-189.095 3.766 -99.200 -91.000 TYR 145 0.840 77.445-192.996 1.137 -99.200 -91.000 PHE 148 1.000 71.074-197.911 10.889 -99.200 -91.000 HIS 149 0.900 66.615-207.163 9.447 -99.200 -91.000 PHE 156 1.000 68.214-199.502 15.624 -99.200 -91.000 TYR 157 0.840 71.393-207.025 15.679 -99.200 -91.000 TYR 159 0.840 72.331-207.176 9.348 -99.200 -91.000 TRP 179 1.040 80.054-205.525 1.922 -99.200 -91.000 TRP6 179 1.020 81.650-204.923 3.553 -99.200 -91.000 HIS 180 0.900 85.236-206.543 -2.040 -99.200 -91.000 PHE 218 1.000 65.182-193.838 -2.202 -99.200 -91.000 TYR 221 0.840 70.148-197.453 -9.791 -99.200 -91.000