============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 28 1.000 22.381 -26.932 14.033 -99.200 -91.000 TRP 29 1.040 14.566 -24.105 20.385 -99.200 -91.000 TRP6 29 1.020 14.589 -26.034 21.763 -99.200 -91.000 HIS 35 0.900 4.538 -19.031 6.740 -99.200 -91.000 PHE 42 1.000 13.333 -20.767 8.056 -99.200 -91.000 PHE 60 1.000 9.593 -7.566 13.590 -99.200 -91.000 PHE 63 1.000 18.891 -11.628 7.098 -99.200 -91.000 HIS 73 0.900 12.486 -8.698 17.472 -99.200 -91.000 TYR 80 0.840 20.987 -13.140 11.782 -99.200 -91.000 HIS 92 0.900 24.432 -20.950 24.617 -99.200 -91.000 HIS 94 0.900 19.750 -21.441 19.686 -99.200 -91.000 PHE 97 1.000 19.370 -18.716 7.529 -99.200 -91.000 PHE 99 1.000 25.144 -17.457 2.792 -99.200 -91.000 TYR 107 0.840 18.897 -16.637 16.179 -99.200 -91.000 PHE 113 1.000 12.188 -14.695 25.004 -99.200 -91.000 HIS 117 0.900 7.248 -14.997 11.781 -99.200 -91.000 TYR 119 0.840 4.834 -15.083 5.985 -99.200 -91.000 PHE 142 1.000 6.528 8.601 16.200 -99.200 -91.000 PHE 171 1.000 11.380 5.509 20.770 -99.200 -91.000 TYR 175 0.840 17.416 3.786 22.378 -99.200 -91.000 PHE 181 1.000 15.961 13.107 32.487 -99.200 -91.000 HIS 203 0.900 7.758 13.741 16.154 -99.200 -91.000 TYR 217 0.840 20.171 12.998 29.743 -99.200 -91.000 TYR 219 0.840 17.337 0.527 30.619 -99.200 -91.000 HIS 244 0.900 15.050 1.883 34.588 -99.200 -91.000 TYR 245 0.840 9.755 7.513 38.414 -99.200 -91.000