============================================================================= 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. TYR 36 0.840 -25.862 -47.185 2.755 -99.200 -91.000 TRP 39 1.040 -23.396 -33.425 4.843 -99.200 -91.000 TRP6 39 1.020 -21.655 -32.091 3.974 -99.200 -91.000 TYR 40 0.840 -20.310 -38.044 11.310 -99.200 -91.000 TYR 53 0.840 -29.837 -40.539 10.103 -99.200 -91.000 TRP 54 1.040 -29.615 -43.875 5.389 -99.200 -91.000 TRP6 54 1.020 -31.379 -44.500 6.826 -99.200 -91.000 PHE 66 1.000 -26.595 -27.025 12.063 -99.200 -91.000 PHE 75 1.000 -24.029 -37.288 -1.606 -99.200 -91.000 TYR 90 0.840 -20.445 -27.220 10.142 -99.200 -91.000 TYR 91 0.840 -13.803 -33.040 9.688 -99.200 -91.000 PHE 101 1.000 -14.951 -39.662 9.082 -99.200 -91.000 PHE 121 1.000 -0.932 -9.986 31.680 -99.200 -91.000 PHE 138 1.000 -5.363 -11.822 26.789 -99.200 -91.000 PHE 142 1.000 -7.487 -9.722 18.608 -99.200 -91.000 TYR 143 0.840 -14.274 -10.572 12.688 -99.200 -91.000 TRP 151 1.040 6.677 -8.039 21.678 -99.200 -91.000 TRP6 151 1.020 6.177 -7.701 23.958 -99.200 -91.000 TRP 166 1.040 -4.460 -14.749 16.547 -99.200 -91.000 TRP6 166 1.020 -2.270 -14.890 15.684 -99.200 -91.000 TYR 176 0.840 -11.000 -15.026 15.482 -99.200 -91.000 TYR 189 0.840 13.019 -8.326 32.508 -99.200 -91.000 HIS 192 0.900 18.574 -3.690 26.565 -99.200 -91.000 TYR 195 0.840 12.100 -5.124 28.798 -99.200 -91.000 HIS 201 0.900 -7.824 -5.699 14.570 -99.200 -91.000 PHE 212 1.000 7.449 -4.317 31.911 -99.200 -91.000