============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 10 1.040 -16.600 21.469 99.834 -99.200 -91.000 TRP6 10 1.020 -14.668 21.380 98.478 -99.200 -91.000 PHE 30 1.000 -7.355 22.536 87.730 -99.200 -91.000 PHE 31 1.000 -11.213 26.338 87.347 -99.200 -91.000 HIS 32 0.900 -17.912 18.470 87.041 -99.200 -91.000 HIS 38 0.900 -13.214 15.875 94.329 -99.200 -91.000 TYR 47 0.840 -9.121 14.354 91.084 -99.200 -91.000 TYR 71 0.840 -6.347 14.449 103.598 -99.200 -91.000 HIS 76 0.900 -8.600 16.562 114.877 -99.200 -91.000 TYR 98 0.840 -12.527 31.964 101.707 -99.200 -91.000 TYR 104 0.840 -4.780 27.640 89.934 -99.200 -91.000 PHE 108 1.000 -3.361 24.570 100.893 -99.200 -91.000 HIS 109 0.900 -1.138 23.065 95.682 -99.200 -91.000 TYR 114 0.840 4.742 18.736 108.264 -99.200 -91.000 HIS 118 0.900 4.614 15.236 112.100 -99.200 -91.000 TRP 119 1.040 -1.276 9.720 109.541 -99.200 -91.000 TRP6 119 1.020 -1.342 7.849 108.103 -99.200 -91.000 TRP 121 1.040 9.266 10.717 111.374 -99.200 -91.000 TRP6 121 1.020 11.221 10.426 110.100 -99.200 -91.000 TYR 131 0.840 8.644 8.654 96.422 -99.200 -91.000 PHE 140 1.000 4.669 21.033 94.686 -99.200 -91.000 HIS 145 0.900 13.046 14.934 108.766 -99.200 -91.000 HIS 158 0.900 5.251 35.449 96.356 -99.200 -91.000 HIS 193 0.900 16.802 21.032 112.216 -99.200 -91.000 HIS 233 0.900 4.339 39.648 122.174 -99.200 -91.000 HIS 259 0.900 10.156 50.249 109.223 -99.200 -91.000 PHE 260 1.000 14.660 44.839 108.456 -99.200 -91.000