============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 94.208 156.838 0.980 -99.200 -91.000 TRP 14 1.040 107.082 166.120 -9.108 -99.200 -91.000 TRP6 14 1.020 106.245 168.300 -8.731 -99.200 -91.000 PHE 15 1.000 105.045 158.386 -8.279 -99.200 -91.000 TYR 19 0.840 101.098 150.212 -13.846 -99.200 -91.000 HIS 22 0.900 102.833 140.232 -16.064 -99.200 -91.000 TYR 28 0.840 103.486 151.293 -8.984 -99.200 -91.000 TRP 39 1.040 116.091 161.243 -21.919 -99.200 -91.000 TRP6 39 1.020 117.596 159.433 -21.583 -99.200 -91.000 HIS 45 0.900 115.531 148.778 -5.704 -99.200 -91.000 PHE 47 1.000 113.553 149.996 -14.117 -99.200 -91.000 TYR 50 0.840 110.992 139.765 -18.001 -99.200 -91.000 TYR 56 0.840 110.144 146.883 -16.996 -99.200 -91.000 TYR 59 0.840 99.416 153.764 -18.277 -99.200 -91.000 PHE 75 1.000 104.770 158.990 -22.451 -99.200 -91.000 HIS 83 0.900 125.532 154.866 -11.951 -99.200 -91.000 TYR 86 0.840 121.536 147.981 -7.958 -99.200 -91.000 HIS 93 0.900 119.305 147.248 -2.736 -99.200 -91.000 HIS 94 0.900 126.341 150.244 -1.547 -99.200 -91.000 TYR 125 0.840 130.209 171.284 -5.326 -99.200 -91.000 PHE 130 1.000 121.618 168.123 11.824 -99.200 -91.000 PHE 139 1.000 100.383 154.837 -7.875 -99.200 -91.000 TYR 147 0.840 98.009 140.085 0.288 -99.200 -91.000 TYR 149 0.840 102.706 147.324 -4.644 -99.200 -91.000 HIS 163 0.900 127.869 160.423 6.368 -99.200 -91.000 HIS 170 0.900 122.189 151.602 20.137 -99.200 -91.000 TYR 171 0.840 119.965 156.149 14.417 -99.200 -91.000 TYR 172 0.840 119.518 152.040 8.489 -99.200 -91.000 TRP 188 1.040 107.661 151.716 14.824 -99.200 -91.000 TRP6 188 1.020 107.967 150.352 16.738 -99.200 -91.000 TRP 217 1.040 119.728 151.351 1.452 -99.200 -91.000 TRP6 217 1.020 120.187 151.111 3.769 -99.200 -91.000 TYR 230 0.840 114.394 159.007 1.137 -99.200 -91.000 HIS 235 0.900 128.564 163.598 -4.487 -99.200 -91.000 PHE 236 1.000 124.280 159.034 -7.651 -99.200 -91.000 TRP 239 1.040 125.041 157.660 -15.080 -99.200 -91.000 TRP6 239 1.020 122.759 157.237 -14.635 -99.200 -91.000 HIS 243 0.900 124.746 157.509 -19.494 -99.200 -91.000