============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 33 0.840 -4.781 -31.664 3.788 -99.200 -91.000 TRP 34 1.040 -7.027 -25.966 9.167 -99.200 -91.000 TRP6 34 1.020 -9.066 -25.036 8.423 -99.200 -91.000 TRP 36 1.040 -0.133 -19.698 9.993 -99.200 -91.000 TRP6 36 1.020 -1.326 -17.808 10.777 -99.200 -91.000 PHE 40 1.000 7.448 -11.214 2.241 -99.200 -91.000 TYR 47 0.840 0.377 -22.316 0.553 -99.200 -91.000 TYR 50 0.840 0.301 -28.535 3.489 -99.200 -91.000 TYR 53 0.840 -5.690 -35.225 7.425 -99.200 -91.000 TYR 58 0.840 3.758 -31.841 4.412 -99.200 -91.000 TYR 59 0.840 7.101 -25.924 8.862 -99.200 -91.000 HIS 60 0.900 8.815 -20.639 -0.033 -99.200 -91.000 TYR 78 0.840 -4.136 -22.431 11.097 -99.200 -91.000 TYR 79 0.840 -1.841 -21.664 18.520 -99.200 -91.000 TYR 93 0.840 3.343 -12.272 8.826 -99.200 -91.000 TYR 94 0.840 -3.436 -11.621 3.909 -99.200 -91.000 TRP 98 1.040 -5.238 -27.958 1.421 -99.200 -91.000 TRP6 98 1.020 -3.652 -29.575 0.740 -99.200 -91.000 TRP 103 1.040 -7.840 -16.645 1.334 -99.200 -91.000 TRP6 103 1.020 -5.560 -16.053 1.168 -99.200 -91.000 TYR 122 0.840 7.607 20.064 11.915 -99.200 -91.000 TYR 145 0.840 3.791 8.497 12.163 -99.200 -91.000 PHE 146 1.000 8.241 1.906 15.473 -99.200 -91.000 TRP 154 1.040 -7.153 18.000 6.469 -99.200 -91.000 TRP6 154 1.020 -5.466 19.626 6.800 -99.200 -91.000 HIS 164 0.900 -6.290 14.037 -3.138 -99.200 -91.000 PHE 166 1.000 -0.601 12.552 -0.962 -99.200 -91.000 TYR 175 0.840 6.281 3.638 10.063 -99.200 -91.000 TRP 188 1.040 -7.149 28.845 4.797 -99.200 -91.000 TRP6 188 1.020 -4.986 29.486 4.090 -99.200 -91.000 HIS 199 0.900 2.321 7.751 17.553 -99.200 -91.000