============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 -17.708 -14.314 16.772 -99.200 -91.000 TYR 19 0.840 -8.161 -11.241 -0.883 -99.200 -91.000 HIS 21 0.900 -16.385 -8.299 -7.963 -99.200 -91.000 HIS 25 0.900 -13.997 -7.468 -11.571 -99.200 -91.000 TRP 30 1.040 -4.456 0.338 -2.671 -99.200 -91.000 TRP6 30 1.020 -3.311 2.312 -2.007 -99.200 -91.000 TRP 43 1.040 -7.051 -13.060 6.283 -99.200 -91.000 TRP6 43 1.020 -9.412 -13.121 6.445 -99.200 -91.000 TYR 44 0.840 -11.759 -19.240 10.026 -99.200 -91.000 TYR 52 0.840 -5.999 -10.077 16.439 -99.200 -91.000 TYR 66 0.840 -14.093 -11.111 3.518 -99.200 -91.000 PHE 69 1.000 -10.138 -7.020 15.297 -99.200 -91.000 TRP 72 1.040 -1.568 -0.034 10.374 -99.200 -91.000 TRP6 72 1.020 -0.884 2.077 11.261 -99.200 -91.000 PHE 75 1.000 9.475 -4.333 14.237 -99.200 -91.000 PHE 78 1.000 3.233 -0.052 14.599 -99.200 -91.000 TYR 80 0.840 -2.073 -2.851 24.061 -99.200 -91.000 HIS 84 0.900 -11.544 -1.208 10.119 -99.200 -91.000 TYR 87 0.840 -12.387 -6.449 1.369 -99.200 -91.000 HIS 89 0.900 -21.839 -11.583 -4.178 -99.200 -91.000 HIS 92 0.900 -26.441 -10.311 -1.637 -99.200 -91.000 HIS 115 0.900 -6.142 3.623 22.959 -99.200 -91.000 HIS 131 0.900 -14.534 2.529 7.373 -99.200 -91.000 HIS 132 0.900 -16.184 11.078 7.730 -99.200 -91.000 PHE 136 1.000 -13.550 3.429 12.087 -99.200 -91.000 PHE 148 1.000 -8.020 -1.626 -11.185 -99.200 -91.000 TRP 151 1.040 0.970 8.488 -10.135 -99.200 -91.000 TRP6 151 1.020 2.761 7.002 -9.671 -99.200 -91.000 PHE 156 1.000 -3.109 4.729 6.785 -99.200 -91.000 HIS 163 0.900 -9.558 1.772 28.986 -99.200 -91.000