============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 8 1.000 18.121 -6.570 -40.911 -99.200 -91.000 HIS 36 0.900 24.667 -9.442 -48.710 -99.200 -91.000 PHE 48 1.000 22.487 -19.133 -38.417 -99.200 -91.000 TRP 63 1.040 28.046 -6.022 -44.230 -99.200 -91.000 TRP6 63 1.020 25.957 -6.414 -45.268 -99.200 -91.000 HIS 65 0.900 24.595 -1.728 -36.056 -99.200 -91.000 PHE 72 1.000 32.058 1.336 -49.372 -99.200 -91.000 PHE 73 1.000 24.089 -2.241 -48.502 -99.200 -91.000 TYR 79 0.840 32.179 -5.847 -40.990 -99.200 -91.000 PHE 90 1.000 22.789 -24.729 -31.754 -99.200 -91.000 PHE 92 1.000 27.245 -24.550 -36.595 -99.200 -91.000 TYR 110 0.840 18.578 -37.112 -48.323 -99.200 -91.000 TYR 113 0.840 3.805 -35.694 -45.465 -99.200 -91.000 TYR 136 0.840 7.157 -29.327 -47.766 -99.200 -91.000 TYR 144 0.840 12.464 -47.684 -50.070 -99.200 -91.000 PHE 157 1.000 5.911 -42.843 -34.032 -99.200 -91.000 HIS 159 0.900 -1.323 -36.837 -38.758 -99.200 -91.000 PHE 175 1.000 17.786 -36.059 -42.444 -99.200 -91.000 PHE 190 1.000 19.869 -36.830 -36.684 -99.200 -91.000