============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 20.009-135.641 42.823 -99.200 -91.000 TYR 5 0.840 15.464-135.532 34.283 -99.200 -91.000 PHE 20 1.000 -17.230-133.018 23.277 -99.200 -91.000 TYR 33 0.840 7.633-153.258 40.993 -99.200 -91.000 TYR 39 0.840 -8.330-136.930 44.415 -99.200 -91.000 PHE 44 1.000 -2.854-129.657 38.639 -99.200 -91.000 PHE 57 1.000 11.088-135.578 38.409 -99.200 -91.000 PHE 68 1.000 -0.433-122.407 30.372 -99.200 -91.000 TRP 74 1.040 3.567-112.218 35.705 -99.200 -91.000 TRP6 74 1.020 4.168-109.980 36.184 -99.200 -91.000 TYR 75 0.840 -1.851-113.161 26.586 -99.200 -91.000 HIS 76 0.900 -5.578-113.158 32.025 -99.200 -91.000 PHE 77 1.000 -0.892-108.871 36.797 -99.200 -91.000 HIS 79 0.900 0.375-108.873 25.961 -99.200 -91.000 HIS 95 0.900 8.921-119.777 22.155 -99.200 -91.000 TYR 98 0.840 14.358-125.898 21.765 -99.200 -91.000 PHE 102 1.000 20.905-127.689 24.723 -99.200 -91.000 PHE 103 1.000 18.267-130.511 34.945 -99.200 -91.000 TYR 105 0.840 10.208-127.522 32.876 -99.200 -91.000 TYR 106 0.840 12.247-138.446 31.640 -99.200 -91.000 HIS 108 0.900 2.798-136.525 25.781 -99.200 -91.000 TYR 123 0.840 -3.017-126.647 19.941 -99.200 -91.000 PHE 125 1.000 2.298-128.234 24.190 -99.200 -91.000 TYR 131 0.840 3.135-125.986 19.357 -99.200 -91.000 PHE 149 1.000 -11.049-148.618 23.046 -99.200 -91.000 PHE 156 1.000 -16.325-144.906 13.793 -99.200 -91.000 TYR 160 0.840 -11.714-151.139 5.053 -99.200 -91.000 TYR 173 0.840 -15.583-136.320 16.531 -99.200 -91.000 PHE 187 1.000 -7.652-142.842 31.796 -99.200 -91.000 HIS 194 0.900 1.537-149.406 32.904 -99.200 -91.000 PHE 215 1.000 -12.583-139.950 41.685 -99.200 -91.000 TYR 216 0.840 -17.084-141.476 36.030 -99.200 -91.000