============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 17 0.840 120.806 -6.065 24.490 -99.200 -91.000 PHE 31 1.000 130.358 -11.629 9.222 -99.200 -91.000 TYR 32 0.840 128.914 -9.873 13.781 -99.200 -91.000 HIS 39 0.900 128.942 3.190 12.415 -99.200 -91.000 TYR 42 0.840 133.544 -0.463 27.018 -99.200 -91.000 TYR 49 0.840 128.998 -3.960 25.524 -99.200 -91.000 PHE 53 1.000 124.595 6.422 8.915 -99.200 -91.000 PHE 56 1.000 117.017 6.346 21.028 -99.200 -91.000 HIS 58 0.900 126.552 0.941 25.431 -99.200 -91.000 HIS 59 0.900 124.110 -2.834 24.024 -99.200 -91.000 PHE 76 1.000 111.770 -9.286 22.094 -99.200 -91.000 TYR 90 0.840 102.570 -12.031 30.453 -99.200 -91.000 TYR 91 0.840 108.201 -13.865 30.150 -99.200 -91.000 PHE 105 1.000 120.713 -10.098 33.511 -99.200 -91.000 PHE 121 1.000 113.789 -19.590 21.085 -99.200 -91.000 TYR 123 0.840 111.559 -13.815 23.993 -99.200 -91.000 PHE 125 1.000 110.530 -9.261 28.053 -99.200 -91.000 PHE 126 1.000 116.789 -2.644 26.815 -99.200 -91.000 PHE 127 1.000 112.608 3.748 29.939 -99.200 -91.000 HIS 131 0.900 118.785 7.902 25.459 -99.200 -91.000 HIS 136 0.900 119.843 11.248 12.326 -99.200 -91.000 TYR 139 0.840 123.809 11.166 5.154 -99.200 -91.000 TYR 142 0.840 125.082 5.471 3.895 -99.200 -91.000 HIS 152 0.900 113.682 -9.769 10.879 -99.200 -91.000 PHE 153 1.000 115.849 -10.165 18.685 -99.200 -91.000 TYR 166 0.840 105.609 -16.767 25.152 -99.200 -91.000 PHE 172 1.000 106.317 -9.730 20.557 -99.200 -91.000 TYR 186 0.840 103.153 -26.931 8.658 -99.200 -91.000 TRP 189 1.040 107.744 -13.628 9.143 -99.200 -91.000 TRP6 189 1.020 107.130 -15.777 8.322 -99.200 -91.000 HIS 191 0.900 103.228 -4.800 14.513 -99.200 -91.000 HIS 197 0.900 109.998 -10.196 10.673 -99.200 -91.000 HIS 210 0.900 116.839 -19.381 9.949 -99.200 -91.000 HIS 211 0.900 116.577 -14.626 10.124 -99.200 -91.000 PHE 214 1.000 122.173 -5.606 12.689 -99.200 -91.000 HIS 217 0.900 119.579 4.749 4.909 -99.200 -91.000 HIS 220 0.900 122.316 1.963 -3.233 -99.200 -91.000 HIS 245 0.900 112.808 -14.228 2.552 -99.200 -91.000 PHE 251 1.000 117.397 -7.031 -3.070 -99.200 -91.000 TYR 252 0.840 116.155 -13.694 0.372 -99.200 -91.000 TYR 254 0.840 118.100 -14.910 5.200 -99.200 -91.000 HIS 261 0.900 126.292 -17.170 16.650 -99.200 -91.000 TYR 266 0.840 114.541 -5.972 6.513 -99.200 -91.000 TYR 270 0.840 103.775 -5.142 4.824 -99.200 -91.000 TYR 271 0.840 101.226 2.026 9.865 -99.200 -91.000 TRP 282 1.040 102.541 -15.240 2.374 -99.200 -91.000 TRP6 282 1.020 103.151 -14.706 0.146 -99.200 -91.000 HIS 285 0.900 101.188 -28.151 0.467 -99.200 -91.000 TRP 292 1.040 107.454 -11.506 -6.094 -99.200 -91.000 TRP6 292 1.020 105.222 -11.997 -5.434 -99.200 -91.000 TRP 293 1.040 112.568 -11.792 -7.481 -99.200 -91.000 TRP6 293 1.020 114.694 -10.934 -6.777 -99.200 -91.000 TRP 301 1.040 117.598 -19.282 5.184 -99.200 -91.000 TRP6 301 1.020 115.271 -19.385 5.649 -99.200 -91.000 TYR 302 0.840 114.350 -23.964 3.960 -99.200 -91.000