============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 17 1.000 20.111 32.552 -19.675 -99.200 -91.000 PHE 35 1.000 26.504 25.296 -29.699 -99.200 -91.000 HIS 37 0.900 30.154 28.764 -32.189 -99.200 -91.000 HIS 40 0.900 28.454 21.604 -30.714 -99.200 -91.000 HIS 51 0.900 25.386 30.588 -36.545 -99.200 -91.000 HIS 52 0.900 17.661 28.329 -40.758 -99.200 -91.000 HIS 63 0.900 13.610 29.368 -35.397 -99.200 -91.000 TYR 73 0.840 3.811 33.136 -37.740 -99.200 -91.000 HIS 81 0.900 13.981 20.608 -27.607 -99.200 -91.000 HIS 101 0.900 23.869 16.572 -30.748 -99.200 -91.000 HIS 115 0.900 23.185 5.242 -31.238 -99.200 -91.000 TRP 126 1.040 18.317 12.331 -25.304 -99.200 -91.000 TRP6 126 1.020 16.614 13.690 -26.197 -99.200 -91.000 HIS 131 0.900 17.007 21.669 -21.865 -99.200 -91.000 TYR 179 0.840 36.598 -15.258 -23.398 -99.200 -91.000 TYR 190 0.840 21.101 -23.980 -37.960 -99.200 -91.000 PHE 195 1.000 27.367 -12.023 -28.596 -99.200 -91.000 HIS 197 0.900 28.242 -10.266 -23.275 -99.200 -91.000 HIS 200 0.900 30.094 -9.756 -31.354 -99.200 -91.000 PHE 217 1.000 23.273 13.651 -26.037 -99.200 -91.000 HIS 218 0.900 27.168 6.265 -26.084 -99.200 -91.000 HIS 229 0.900 22.203 -7.894 -21.971 -99.200 -91.000 HIS 230 0.900 15.626 -4.600 -26.308 -99.200 -91.000 HIS 245 0.900 11.848 -10.348 -27.100 -99.200 -91.000 TYR 263 0.840 18.578 -15.326 -28.777 -99.200 -91.000 HIS 264 0.900 17.667 -15.786 -36.835 -99.200 -91.000 HIS 271 0.900 26.742 -9.304 -37.061 -99.200 -91.000 HIS 288 0.900 22.421 -20.502 -36.253 -99.200 -91.000