Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.198 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.380 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.473 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.299 Ave N Shift Values>> N :: 109.67(3.87) 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.741 CA :: 59.630 CB :: 65.124 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.457 HB2 :: 3.852 HB3 :: 3.875 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.706 CA :: 46.350 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.277 HA2 :: 3.907 HA3 :: 3.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.283 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.32 G 0.12 HN Overlap>> 1.I188 1.I188 1.D200 1.D200 C Shift Assignments>> C :: 176.919 CA :: 56.191 CB :: 43.518 CG :: 27.973 CD1 :: 24.664 CD2 :: 25.840 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.954 HA :: 4.337 HB2 :: 1.521 HB3 :: 1.550 HG :: 1.530 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.729 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 HN Overlap>> 1.K243 1.I194 1.K243 1.I194 1.A90 1.A90 C Shift Assignments>> C :: 172.714 CA :: 60.714 CB :: 33.717 CG1 :: 21.356 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.969 HA :: 4.382 HB :: 2.025 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.570 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> C :: 176.810 CA :: 64.158 CB :: 33.036 CG :: 28.393 CD :: 52.007 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.378 HB2 :: 2.244 HB3 :: 2.226 HG2 :: 1.999 HG3 :: 1.886 HD2 :: 3.818 HD3 :: 3.632 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 G 0.42 C Shift Assignments>> C :: 176.860 CA :: 57.374 CB :: 31.933 CG :: 28.080 CD :: 44.430 CZ :: 159.624 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.281 HA :: 4.297 HB2 :: 1.837 HB3 :: 1.762 HG2 :: 1.671 HG3 :: 1.637 HD2 :: 3.181 HD3 :: 3.193 HE :: 7.078 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.533 NE :: 84.922 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 HN Overlap>> 1.G22 1.G22 C Shift Assignments>> C :: 174.021 CA :: 46.345 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.305 HA2 :: 3.940 HA3 :: 3.968 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.874 Ave N Shift Values>> N :: 109.67(3.87) 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.17 E 0.16 R 0.15 Q 0.15 W 0.15 K 0.1 M 0.06 I 0.01 C Shift Assignments>> C :: 174.372 CA :: 56.514 CB :: 29.980 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.697 HB2 :: 3.266 HB3 :: 3.147 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 Q 0.18 E 0.09 HN Overlap>> 1.A161 1.A161 C Shift Assignments>> C :: 176.443 CA :: 56.700 CB :: 34.104 CG :: 33.016 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.269 HA :: 4.468 HB2 :: 1.965 HB3 :: 2.078 HG2 :: 2.554 HG3 :: 2.482 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.253 Ave N Shift Values>> N :: 120.09(3.57) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 HN Overlap>> 1.G18 1.G18 C Shift Assignments>> C :: 174.082 CA :: 46.367 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.336 HA2 :: 3.997 HA3 :: 3.972 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.899 Ave N Shift Values>> N :: 109.67(3.87) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.360 CA :: 62.721 CB :: 70.880 CG2 :: 22.538 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.930 HA :: 4.312 HB :: 4.157 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.283 Ave N Shift Values>> N :: 115.42(4.75) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.15 W 0.15 Q 0.15 K 0.08 M 0.08 HN Overlap>> 1.A66 1.A66 C Shift Assignments>> C :: 174.193 CA :: 56.250 CB :: 30.241 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.465 HA :: 4.779 HB2 :: 3.261 HB3 :: 3.153 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.843 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.Q165 1.Q165 C Shift Assignments>> CA :: 60.962 CB :: 70.521 CG2 :: 22.695 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.145 HA :: 4.563 HB :: 4.159 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.218 Ave N Shift Values>> N :: 115.42(4.75) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> C :: 176.358 CA :: 64.465 CB :: 33.098 CG :: 28.356 CD :: 52.018 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.409 HB2 :: 1.922 HB3 :: 2.279 HG2 :: 2.028 HG3 :: 1.967 HD2 :: 3.697 HD3 :: 3.802 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.23 D 0.17 K 0.12 F 0.06 Y 0.04 G 0.01 N 0.01 HN Overlap>> 1.A130 1.A130 C Shift Assignments>> C :: 177.100 CA :: 54.980 CB :: 42.781 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.303 HA :: 4.685 HB2 :: 2.745 HB3 :: 2.761 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.592 Ave N Shift Values>> N :: 120.65(3.86) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 Q 0.38 C Shift Assignments>> C :: 176.929 CA :: 58.172 CB :: 30.538 CG :: 35.347 CD :: 180.427 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.708 HA :: 4.403 HB2 :: 2.269 HB3 :: 2.506 HG2 :: 2.621 HG3 :: 2.590 HE21 :: 6.862 HE22 :: 7.500 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.296 NE2 :: 111.601 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.454 CA :: 62.197 CB :: 63.629 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.680 HA :: 3.691 HB2 :: 2.569(S) HB3 :: 2.967 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.429 Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.451 CA :: 66.915 CB :: 69.741 CG2 :: 22.744 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.543 HA :: 3.813 HB :: 4.091 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.141 Ave N Shift Values>> N :: 115.42(4.75) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.41 I 0.04 V 0.03 L 0.02 C Shift Assignments>> C :: 179.232 CA :: 55.841 CB :: 19.378 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.075 HA :: 4.039 HB1 :: 1.138 HB2 :: 1.138 HB3 :: 1.138 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.233 Ave N Shift Values>> N :: 123.23(3.54) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.065 CA :: 60.506 CB :: 39.516 CD1 :: 135.315 CD2 :: 135.315 CE1 :: 119.193 CE2 :: 119.193 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.160 HA :: 4.523 HB2 :: 2.963 HB3 :: 3.392 HD1 :: 7.341 HD2 :: 7.341 HE1 :: 6.786 HE2 :: 6.786 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.050 Ave N Shift Values>> N :: 120.52(4.2) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.02 C Shift Assignments>> C :: 178.023 CA :: 58.760 CB :: 33.267 CG :: 33.199 CE :: 17.705 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.259 HA :: 4.196 HB2 :: 2.004 HB3 :: 2.111 HG2 :: 2.460 HG3 :: 2.374 HE1 :: 1.875 HE2 :: 1.875 HE3 :: 1.875 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.936 Ave N Shift Values>> N :: 120.09(3.57) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 E 0.47 HN Overlap>> 1.N210 1.N210 C Shift Assignments>> C :: 176.454 CA :: 57.424 CB :: 30.247 CG :: 35.098 CD :: 180.125 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.142 HA :: 4.254 HB2 :: 2.045 HB3 :: 2.167 HG2 :: 2.460 HG3 :: 2.414 HE21 :: 7.300 HE22 :: 6.664 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.516 NE2 :: 110.932 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.474 CA :: 46.437 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.674 HA2 :: 3.984 HA3 :: 4.174 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.215 Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.513 CA :: 63.745 CB :: 69.704 CG2 :: 23.008 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.024 HA :: 4.193 HB :: 4.236 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.811 Ave N Shift Values>> N :: 115.42(4.75) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 L 0.28 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 175.400 CA :: 52.014 CB :: 21.843 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.404 HA :: 4.366 HB1 :: 0.666 HB2 :: 0.666 HB3 :: 0.666 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.781 Ave N Shift Values>> N :: 123.23(3.54) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.54 E 0.44 C Shift Assignments>> C :: 173.778 CA :: 56.521 CB :: 32.839 CG :: 34.586 CD :: 180.556 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.297 HA :: 4.685 HB2 :: 1.938 HB3 :: 2.092 HG2 :: 2.280 HG3 :: 2.300 HE21 :: 7.327 HE22 :: 6.669 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.096 NE2 :: 111.602 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.41 K 0.03 C Shift Assignments>> C :: 174.087 CA :: 52.105 CB :: 22.572 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.945 HA :: 4.341 HB1 :: 0.849 HB2 :: 0.849 HB3 :: 0.849 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.139 Ave N Shift Values>> N :: 123.23(3.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 D 0.23 R 0.2 K 0.06 G 0.06 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 175.542 CA :: 52.973 CB :: 42.978 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.459 HA :: 4.694 HB2 :: 2.679 HB3 :: 3.065 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.865 Ave N Shift Values>> N :: 120.65(3.86) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 176.083 CA :: 63.959 CB :: 62.672 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.748 HA :: 3.798 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.039 Ave N Shift Values>> N :: 116.28(3.52) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.29 I 0.09 V 0.04 L 0.01 C Shift Assignments>> C :: 180.228 CA :: 56.433 CB :: 19.021 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.537 HA :: 3.994 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.346 Ave N Shift Values>> N :: 123.23(3.54) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.487 CA :: 62.162 CB :: 39.808 CD1 :: 132.822 CD2 :: 132.822 CE1 :: 132.014 CE2 :: 132.014 CZ :: 130.559 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.547 HA :: 4.045 HB2 :: 2.654 HB3 :: 3.082 HD1 :: 6.685 HD2 :: 6.685 HE1 :: 6.898 HE2 :: 6.898 HZ :: 7.033 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.279 Ave N Shift Values>> N :: 120.45(4.18) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.L115 1.K103 1.L115 1.K103 1.A117 1.A117 C Shift Assignments>> C :: 178.300 CA :: 60.570 CB :: 38.366 CD1 :: 133.007 CD2 :: 133.007 CE1 :: 119.961 CE2 :: 119.961 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.420 HA :: 3.942 HB2 :: 2.700 HB3 :: 3.489 HD1 :: 6.935 HD2 :: 6.935 HE1 :: 6.690 HE2 :: 6.690 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.653 Ave N Shift Values>> N :: 120.52(4.2) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 L 0.32 G 0.06 K 0.02 HN Overlap>> 1.L67 1.L67 C Shift Assignments>> C :: 179.349 CA :: 59.131 CB :: 42.707 CG :: 28.184 CD1 :: 24.626 CD2 :: 26.527 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.878 HA :: 3.905 HB2 :: 1.848 HB3 :: 1.336 HG :: 1.734 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.909 Ave N Shift Values>> N :: 121.86(3.9) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.64 E 0.35 C Shift Assignments>> C :: 178.681 CA :: 59.802 CB :: 28.896 CG :: 34.704 CD :: 180.070 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.527 HA :: 3.845 HB2 :: 1.976 HB3 :: 1.871 HG2 :: 2.225 HG3 :: 2.033 HE21 :: 7.096 HE22 :: 6.573 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.847 NE2 :: 110.390 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Q 0.99 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> C :: 179.515 CA :: 58.227 CB :: 26.419 CG :: 32.953 CD :: 178.644 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.450 HA :: 3.216 HB2 :: 0.255(S) HB3 :: -0.376(S) HG2 :: -0.111(A) HG3 :: 0.797(S) HE21 :: 6.329 HE22 :: 5.378(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.659 NE2 :: 112.432 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 I 0.03 C Shift Assignments>> C :: 177.306 CA :: 61.075 CB :: 34.773 CG :: 33.224 CE :: 18.417 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.176 HA :: 3.728 HB2 :: 2.076 HB3 :: 2.211 HG3 :: 2.685 HE1 :: 1.970 HE2 :: 1.970 HE3 :: 1.970 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.715 Ave N Shift Values>> N :: 120.09(3.57) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 Q 0.27 K 0.22 M 0.07 I 0.06 C Shift Assignments>> C :: 177.026 CA :: 59.011 CB :: 29.834 CG :: 34.860 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.483 HA :: 4.029 HB2 :: 2.093 HB3 :: 2.105 HG2 :: 2.400 HG3 :: 2.436 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.536 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.6 E 0.38 C Shift Assignments>> C :: 175.230 CA :: 56.194 CB :: 30.354 CG :: 34.693 CD :: 180.330 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.151 HA :: 4.426 HB2 :: 2.155 HB3 :: 1.824 HG2 :: 2.303 HG3 :: 2.310 HE21 :: 7.034 HE22 :: 6.583 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.856 NE2 :: 110.352 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 173.250 CA :: 59.604 CB :: 66.562 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.314 HA :: 4.741 HB2 :: 3.959 HB3 :: 3.972 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.413 Ave N Shift Values>> N :: 116.28(3.52) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.72 T 0.27 C Shift Assignments>> C :: 173.926 CA :: 58.405 CB :: 66.674 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.557 HA :: 4.736 HB2 :: 3.858 HB3 :: 3.951 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.428 Ave N Shift Values>> N :: 116.28(3.52) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.24 D 0.14 F 0.13 R 0.1 Y 0.09 N 0.01 C Shift Assignments>> C :: 176.474 CA :: 56.330 CB :: 41.981 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.540 HA :: 4.455 HB2 :: 2.885 HB3 :: 2.976 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.544 Ave N Shift Values>> N :: 120.65(3.86) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.23 K 0.17 L 0.13 D 0.08 I 0.06 R 0.01 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 177.703 CA :: 58.043 CB :: 41.075 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.549 HA :: 4.382 HB2 :: 2.695 HB3 :: 2.692 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.244 Ave N Shift Values>> N :: 120.65(3.86) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S249 1.S249 C Shift Assignments>> C :: 175.358 CA :: 66.488 CB :: 70.154 CG2 :: 23.561 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.037 HA :: 3.938 HB :: 4.342 HG21 :: 1.355 HG22 :: 1.355 HG23 :: 1.355 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.843 Ave N Shift Values>> N :: 115.42(4.75) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 R 0.22 HN Overlap>> 1.A217 1.A217 C Shift Assignments>> C :: 177.488 CA :: 61.560 CB :: 31.321 CG :: 26.038 CD :: 44.568 CZ :: 159.592 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.415 HA :: 4.083 HD2 :: 3.287 HD3 :: 3.195 HE :: 7.108 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.604 NE :: 85.827 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 178.288 CA :: 65.061 CB :: 38.168 CG1 :: 29.867 CG2 :: 18.663 CD1 :: 13.927 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.372 HA :: 3.667 HB :: 1.851 HG12 :: 0.979 HG13 :: 1.667 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.630 Ave N Shift Values>> N :: 121.46(4.28) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.27 I 0.11 E 0.1 N 0.05 D 0.04 M 0.02 L 0.02 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> C :: 177.986 CA :: 57.241 CB :: 38.106 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.560 HA :: 4.311 HB2 :: 2.663 HB3 :: 2.346 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.049 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.61 W 0.38 C Shift Assignments>> C :: 177.541 CA :: 60.766 CB :: 30.807 CD1 :: 129.977 CZ2 :: 115.709 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.649 HA :: 4.625 HB2 :: 2.946 HB3 :: 3.463 HD1 :: 7.009 HE1 :: 10.067 HZ2 :: 7.415 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.621 NE1 :: 128.765 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> I 0.27 W 0.21 E 0.1 V 0.09 K 0.07 R 0.07 H 0.07 Q 0.05 P 0.02 M 0.01 C Shift Assignments>> C :: 178.202 CA :: 61.051 CB :: 29.526 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.502 HA :: 4.027 HG2 :: 2.321 HG3 :: 2.227 HE21 :: 6.393 HE22 :: 5.414(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.639 NE2 :: 104.104(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 R 0.08 L 0.02 I 0.01 C Shift Assignments>> CA :: 59.461 CB :: 45.144 CD2 :: 27.565 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.492 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.438 Ave N Shift Values>> N :: 121.86(3.9) 1.L62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> K 0.4 R 0.3 L 0.28 C Shift Assignments>> C :: 178.444 CA :: 59.006 CB :: 41.128 CG :: 28.213 CD1 :: 24.225 CD2 :: 28.079 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.678 HA :: 3.677 HB2 :: 1.458 HB3 :: -0.217(S) HG :: 1.421 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.600 HD22 :: 0.600 HD23 :: 0.600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 I 0.17 A 0.16 V 0.09 T 0.01 L 0.01 HN Overlap>> 1.M215 1.M215 C Shift Assignments>> C :: 179.005 CA :: 57.174 CB :: 19.093 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.773 HA :: 4.013 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.821 Ave N Shift Values>> N :: 123.23(3.54) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 V 0.02 HN Overlap>> 1.D89 1.Q85 1.D89 1.Q85 C Shift Assignments>> CA :: 67.761 CB :: 38.942 CG2 :: 20.784 CD1 :: 16.870 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.282 HA :: 3.517 HB :: 2.085 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.913 Ave N Shift Values>> N :: 121.46(4.28) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 R 0.08 C Shift Assignments>> C :: 178.448 CA :: 60.902 CB :: 31.876 CG :: 27.483 CD :: 45.309 CZ :: 159.642 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.474 HA :: 3.676 HB2 :: 2.072 HB3 :: 2.158 HG2 :: 1.694 HG3 :: 1.686 HD2 :: 3.252 HD3 :: 3.202 HE :: 7.592 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> NE :: 85.075 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.39 V 0.05 I 0.05 L 0.03 T 0.01 HN Overlap>> 1.H24 1.H24 C Shift Assignments>> C :: 178.987 CA :: 56.036 CB :: 19.526 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367 HA :: 4.241 HB1 :: 1.660 HB2 :: 1.660 HB3 :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.843 Ave N Shift Values>> N :: 123.23(3.54) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 L 0.28 G 0.13 R 0.1 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> C :: 179.523 CA :: 59.463 CB :: 42.896 CD1 :: 24.734 CD2 :: 27.209 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.832 HA :: 3.993 HB3 :: 2.018 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.709 HD22 :: 0.709 HD23 :: 0.709 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.885 Ave N Shift Values>> N :: 121.86(3.9) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.935 CA :: 68.443 CB :: 32.341 CG1 :: 25.327 CG2 :: 22.851 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.025 HA :: 3.291 HB :: 2.180 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.171 Ave N Shift Values>> N :: 121.14(4.54) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.41 G 0.09 HN Overlap>> 1.K243 1.I194 1.A244 1.K243 1.I194 1.A244 C Shift Assignments>> C :: 178.724 CA :: 60.243 CB :: 32.915 CG :: 25.772 CD :: 29.881 CE :: 43.018 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.897 HA :: 4.027 HB2 :: 2.076 HB3 :: 2.085 HG2 :: 1.526 HG3 :: 1.620 HD2 :: 1.720 HD3 :: 1.729 HE2 :: 3.006 HE3 :: 2.987 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.670 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.24 I 0.05 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.711 CA :: 57.358 CB :: 31.349 CG :: 37.212 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.224 HA :: 4.192 HB2 :: 2.248 HB3 :: 2.086 HG2 :: 2.446 HG3 :: 2.672 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.695 Ave N Shift Values>> N :: 120.67(3.48) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.343 CA :: 46.723 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.889 HA2 :: 3.907 HA3 :: 4.258 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.824 Ave N Shift Values>> N :: 109.67(3.87) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.22 K 0.07 C Shift Assignments>> C :: 176.759 CA :: 55.112 CB :: 31.984 CG :: 25.867 CD :: 30.927 CE :: 43.711 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.416 HA :: 4.648 HB2 :: 1.770 HB3 :: 1.961 HG2 :: 1.325 HG3 :: 1.312 HD2 :: 1.688 HD3 :: 1.671 HE2 :: 2.976 HE3 :: 3.015 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.996 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D123 1.D123 C Shift Assignments>> C :: 175.978 CA :: 67.840 CB :: 69.045 CG2 :: 24.611 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.490 HA :: 3.390 HB :: 3.962 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.786 Ave N Shift Values>> N :: 115.42(4.75) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 G 0.24 A 0.15 N 0.05 D 0.01 L 0.01 HN Overlap>> 1.G160 1.G160 C Shift Assignments>> C :: 176.787 CA :: 48.359 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.693 HA2 :: 3.863 HA3 :: 3.692 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.287 Ave N Shift Values>> N :: 109.67(3.87) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 Q 0.46 C Shift Assignments>> C :: 178.347 CA :: 59.926 CB :: 29.850 CG :: 35.440 CD :: 179.496 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.875 HA :: 4.069 HB2 :: 2.059 HB3 :: 2.084 HG2 :: 2.439 HG3 :: 2.432 HE21 :: 7.393 HE22 :: 6.611 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.209 NE2 :: 109.586 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 M 0.3 V 0.15 L 0.09 T 0.06 I 0.05 C Shift Assignments>> C :: 178.999 CA :: 56.605 CB :: 20.012 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.069 HA :: 3.924 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.218 Ave N Shift Values>> N :: 123.23(3.54) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.625 CA :: 67.891 CB :: 32.904 CG1 :: 22.112 CG2 :: 24.746 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.326 HA :: 3.404 HB :: 2.101 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.880 Ave N Shift Values>> N :: 121.14(4.54) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.05 M 0.03 Q 0.02 HN Overlap>> 1.Q182 1.E94 1.Q182 1.E94 C Shift Assignments>> C :: 178.968 CA :: 60.520 CB :: 30.024 CG :: 36.360 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.539 HA :: 4.030 HB2 :: 2.082 HB3 :: 2.088 HG2 :: 2.234 HG3 :: 2.379 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.870 Ave N Shift Values>> N :: 120.67(3.48) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 L 0.17 G 0.14 K 0.01 C Shift Assignments>> C :: 179.901 CA :: 58.443 CB :: 43.460 CG :: 28.468 CD1 :: 25.364 CD2 :: 26.931 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.737 HA :: 4.092 HB2 :: 1.566 HB3 :: 1.666 HG :: 1.561 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.491 Ave N Shift Values>> N :: 121.86(3.9) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.452 CA :: 62.463 CB :: 40.718 CD1 :: 132.513 CD2 :: 132.513 CE1 :: 132.428 CE2 :: 132.428 CZ :: 130.971 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.879 HA :: 3.960 HB2 :: 3.411 HB3 :: 2.960 HD1 :: 7.049 HD2 :: 7.049 HE1 :: 7.401 HE2 :: 7.401 HZ :: 7.206 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.774 Ave N Shift Values>> N :: 120.45(4.18) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.23 N 0.2 D 0.16 L 0.07 I 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 175.778 CA :: 55.716 CB :: 38.904 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.513 HA :: 4.536 HB2 :: 2.952 HB3 :: 2.969 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.606 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.29 M 0.19 K 0.17 C Shift Assignments>> C :: 176.510 CA :: 56.023 CB :: 30.250 CG :: 34.834 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.218 HA :: 4.340 HB2 :: 2.345 HB3 :: 1.826 HG2 :: 2.354 HG3 :: 2.556 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.371 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 K 0.2 G 0.04 R 0.04 C Shift Assignments>> CA :: 55.034 CB :: 42.708 CD1 :: 26.809 CD2 :: 24.709 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.239 HA :: 4.193 HB2 :: 1.031 HB3 :: 1.568 HG :: 1.718 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 HD21 :: 0.658 HD22 :: 0.658 HD23 :: 0.658 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.430 Ave N Shift Values>> N :: 121.86(3.9) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.437 CA :: 63.280 CB :: 33.188 CG :: 28.330 CD :: 51.212 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.426 HB2 :: 1.885 HB3 :: 2.367 HG2 :: 2.027 HG3 :: 1.896 HD2 :: 3.203 HD3 :: 3.899 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 Q 0.25 K 0.18 M 0.11 I 0.04 HN Overlap>> 1.I64 1.D89 1.I64 1.D89 C Shift Assignments>> C :: 177.193 CA :: 58.523 CB :: 30.128 CG :: 35.030 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.190 HA :: 3.978 HB2 :: 2.038 HB3 :: 1.925 HG2 :: 2.356 HG3 :: 2.365 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.18 Q 0.11 I 0.09 M 0.03 HN Overlap>> 1.Q182 1.Q182 C Shift Assignments>> C :: 173.762 CA :: 57.067 CB :: 29.190 CG :: 36.133 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.667 HA :: 4.361 HB2 :: 1.909 HB3 :: 1.927 HG2 :: 2.174 HG3 :: 2.240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.829 Ave N Shift Values>> N :: 120.67(3.48) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.15 A 0.01 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 176.978 CA :: 54.058 CB :: 46.498 CG :: 27.254 CD1 :: 27.942 CD2 :: 24.892 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.401 HA :: 4.632 HB2 :: 1.445 HB3 :: 1.579 HG :: 1.503 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 HD21 :: 0.709 HD22 :: 0.709 HD23 :: 0.709 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.745 Ave N Shift Values>> N :: 121.86(3.9) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.18 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 175.376 CA :: 52.738 CB :: 38.792 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.402 HA :: 4.725 HB2 :: 3.279 HB3 :: 2.799 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.483 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 K 0.22 Y 0.21 I 0.11 L 0.07 R 0.05 D 0.02 HN Overlap>> 1.I64 1.I64 1.Q85 1.Q85 C Shift Assignments>> C :: 178.005 CA :: 59.579 CB :: 41.688 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.276 HA :: 4.201 HB2 :: 2.602 HB3 :: 2.598 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.983 Ave N Shift Values>> N :: 120.65(3.86) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.3 I 0.09 V 0.04 L 0.01 HN Overlap>> 1.K243 1.V15 1.K243 1.V15 C Shift Assignments>> C :: 181.450 CA :: 56.393 CB :: 19.073 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.016 HA :: 4.070 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.548 Ave N Shift Values>> N :: 123.23(3.54) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.83 E 0.16 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> C :: 178.203 CA :: 59.140 CB :: 29.839 CG :: 34.391 CD :: 178.685 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.554 HA :: 3.793 HG3 :: 2.716 HE21 :: 6.300 HE22 :: 7.191 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.213 NE2 :: 108.622 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 R 0.13 K 0.02 C Shift Assignments>> C :: 179.253 CA :: 61.064 CB :: 31.012 CG :: 29.558 CD :: 44.240 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.817 HA :: 3.794 HB2 :: 1.881 HB3 :: 1.879 HG2 :: 1.696 HG3 :: 1.546 HD2 :: 3.236 HD3 :: 3.207 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.827 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 R 0.02 HN Overlap>> 1.F245 1.F245 C Shift Assignments>> C :: 177.491 CA :: 61.122 CB :: 31.546 CG :: 29.553 CD :: 45.192 CZ :: 159.683 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.879 HA :: 4.001 HB2 :: 2.033 HB3 :: 1.741 HG2 :: 1.879 HG3 :: 1.599 HD2 :: 3.135 HD3 :: 3.271 HE :: 7.369 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.319 NE :: 85.341 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.31 K 0.06 M 0.03 Q 0.02 HN Overlap>> 1.N58 1.N58 1.E78 1.E78 C Shift Assignments>> C :: 177.752 CA :: 59.788 CB :: 29.766 CG :: 36.528 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.563 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.978 Ave N Shift Values>> N :: 120.67(3.48) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 K 0.13 C Shift Assignments>> C :: 177.585 CA :: 61.781 CB :: 33.580 CD :: 31.379 CE :: 43.125 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.643 HA :: 3.791 HB2 :: 2.033 HB3 :: 1.636 HG3 :: 1.068 HD2 :: 1.325 HD3 :: 1.450 HE2 :: 2.636 HE3 :: 2.442 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.461 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.660 CA :: 67.803 CB :: 69.694 CG2 :: 22.962 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.937 HA :: 3.943 HB :: 4.255 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.616 Ave N Shift Values>> N :: 115.42(4.75) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 G 0.19 K 0.01 R 0.01 C Shift Assignments>> C :: 178.748 CA :: 58.781 CB :: 43.306 CD1 :: 24.558 CD2 :: 25.628 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.415 HA :: 3.963 HB2 :: 1.554 HB3 :: 1.688 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.174 Ave N Shift Values>> N :: 121.86(3.9) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 G 0.29 L 0.08 R 0.05 C Shift Assignments>> C :: 178.729 CA :: 58.434 CB :: 43.383 CD1 :: 23.565 CD2 :: 28.680 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.729 HA :: 4.199 HB2 :: 1.308 HB3 :: 2.238 HG :: 1.981 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 HD21 :: 1.068 HD22 :: 1.068 HD23 :: 1.068 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.694 Ave N Shift Values>> N :: 121.86(3.9) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.38 I 0.06 V 0.05 L 0.02 T 0.01 C Shift Assignments>> C :: 180.561 CA :: 56.222 CB :: 19.390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.341 HA :: 3.437 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.390 Ave N Shift Values>> N :: 123.23(3.54) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.208 CA :: 67.971 CB :: 32.658 CG1 :: 22.848 CG2 :: 24.137 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.375 HA :: 3.262 HB :: 2.498 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.035 Ave N Shift Values>> N :: 121.14(4.54) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 E 0.21 K 0.01 C Shift Assignments>> C :: 180.087 CA :: 61.203 CB :: 29.879 CG :: 37.651 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.976 HA :: 3.746 HG2 :: 2.426 HG3 :: 2.203 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.733 Ave N Shift Values>> N :: 120.67(3.48) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.545 CA :: 67.170 CB :: 38.886 CG1 :: 31.799 CG2 :: 18.350 CD1 :: 14.101 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.829 HA :: 3.372 HB :: 1.463 HG12 :: 1.578 HG13 :: 0.451 HG21 :: 0.479 HG22 :: 0.479 HG23 :: 0.479 HD11 :: 0.177 HD12 :: 0.177 HD13 :: 0.177 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.250 Ave N Shift Values>> N :: 121.46(4.28) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.15 K 0.09 HN Overlap>> 1.L115 1.L115 1.A232 1.Y44 1.A232 1.Y44 C Shift Assignments>> C :: 179.695 CA :: 60.490 CB :: 32.606 CG :: 27.135 CD :: 29.777 CE :: 43.271 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.465 HA :: 4.052 HG2 :: 1.325 HG3 :: 1.526 HD2 :: 1.404 HD3 :: 1.577 HE2 :: 2.889 HE3 :: 2.815 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.717 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 L 0.24 R 0.04 G 0.02 HN Overlap>> 1.W133 1.W133 C Shift Assignments>> C :: 180.767 CA :: 59.066 CB :: 42.310 CD1 :: 27.607 CD2 :: 24.398 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.265 HA :: 3.503 HB2 :: 1.883 HB3 :: 1.410 HG :: 1.697 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 121.86(3.9) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.36 V 0.04 I 0.04 L 0.03 T 0.01 HN Overlap>> 1.K246 1.K246 C Shift Assignments>> C :: 179.594 CA :: 55.828 CB :: 19.568 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.833 HA :: 4.090 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.031 Ave N Shift Values>> N :: 123.23(3.54) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 E 0.47 HN Overlap>> 1.Q141 1.Q141 C Shift Assignments>> C :: 174.867 CA :: 56.871 CB :: 29.986 CG :: 35.222 CD :: 180.061 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.642 HA :: 4.110 HB2 :: 2.084 HB3 :: 2.089 HG2 :: 2.107 HG3 :: 2.438 HE21 :: 6.491 HE22 :: 7.012 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.431 NE2 :: 110.055 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K107 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.75 G 0.17 K 0.06 C Shift Assignments>> C :: 174.293 CA :: 57.837 CB :: 29.161 CG :: 25.960 CD :: 29.935 CE :: 43.566 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.697 HA :: 2.781(S) HB2 :: 1.876 HB3 :: 2.094 HG2 :: 1.218 HG3 :: 1.364 HD2 :: 1.696 HD3 :: 1.743 HE2 :: 3.054 HE3 :: 3.051 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.890 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.29 L 0.08 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.274 CA :: 51.914 CB :: 39.834 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.037 HA :: 4.807 HB2 :: 2.309 HB3 :: 2.689 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 120.65(3.86) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 F 0.35 C Shift Assignments>> C :: 178.124 CA :: 63.164 CB :: 39.357 CD1 :: 132.338 CD2 :: 132.338 CE1 :: 132.364 CE2 :: 132.364 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.166 HA :: 3.925 HB2 :: 2.872 HB3 :: 3.296 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 7.316 HE2 :: 7.316 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.115 Ave N Shift Values>> N :: 120.45(4.18) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.36 I 0.07 V 0.03 L 0.01 C Shift Assignments>> C :: 180.739 CA :: 56.108 CB :: 19.046 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.587 HA :: 4.155 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.167 Ave N Shift Values>> N :: 123.23(3.54) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 G 0.33 A 0.15 N 0.05 L 0.01 D 0.01 C Shift Assignments>> C :: 176.966 CA :: 48.257 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.200 HA2 :: 3.816 HA3 :: 3.652 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.967 Ave N Shift Values>> N :: 109.67(3.87) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.27 V 0.1 I 0.1 L 0.03 T 0.02 C Shift Assignments>> C :: 179.005 CA :: 56.737 CB :: 19.490 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.181 HA :: 3.888 HB1 :: 1.415 HB2 :: 1.415 HB3 :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.483 Ave N Shift Values>> N :: 123.23(3.54) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.57 E 0.42 C Shift Assignments>> C :: 178.761 CA :: 60.583 CB :: 29.411 CG :: 35.088 CD :: 179.607 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.299 HA :: 3.923 HB2 :: 2.088 HB3 :: 2.239 HG2 :: 2.305 HG3 :: 2.565 HE21 :: 6.621 HE22 :: 6.972 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.275 NE2 :: 109.565 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.38 C Shift Assignments>> C :: 177.233 CA :: 57.294 CB :: 39.709 CG :: 175.634 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.878 HA :: 4.402 HB2 :: 2.869 HB3 :: 2.794 HD21 :: 7.430 HD22 :: 6.792 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.904 ND2 :: 111.884 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.33 G 0.3 HN Overlap>> 1.K103 1.A232 1.Y44 1.A117 1.K103 1.A232 1.Y44 1.A117 C Shift Assignments>> C :: 180.021 CA :: 58.571 CB :: 44.060 CG :: 27.949 CD1 :: 26.684 CD2 :: 23.706 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.439 HA :: 4.074 HB2 :: 1.801 HB3 :: 1.411 HG :: 1.739 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.665 Ave N Shift Values>> N :: 121.86(3.9) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 G 0.27 R 0.03 C Shift Assignments>> C :: 178.873 CA :: 58.887 CB :: 43.567 CD1 :: 25.626 CD2 :: 25.382 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.459 HA :: 3.827 HB2 :: 1.259 HB3 :: 1.858 HG :: 1.636 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 HD21 :: 0.543 HD22 :: 0.543 HD23 :: 0.543 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.316 Ave N Shift Values>> N :: 121.86(3.9) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.28 L 0.02 I 0.01 V 0.01 HN Overlap>> 1.L115 1.Y44 1.L115 1.Y44 C Shift Assignments>> C :: 178.119 CA :: 54.945 CB :: 19.472 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.361 HA :: 4.192 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.643 Ave N Shift Values>> N :: 123.23(3.54) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.34 G 0.07 C Shift Assignments>> C :: 176.044 CA :: 56.669 CB :: 33.741 CG :: 25.918 CD :: 29.789 CE :: 43.208 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.335 HA :: 4.326 HB2 :: 2.084 HB3 :: 1.825 HG2 :: 1.464 HG3 :: 1.570 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.955 HE3 :: 2.990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.559 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.441 CA :: 61.835 CB :: 41.439 CG1 :: 27.837 CG2 :: 18.798 CD1 :: 15.383 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.425 HA :: 4.118 HB :: 1.833 HG13 :: 0.923 HG21 :: 0.578 HG22 :: 0.578 HG23 :: 0.578 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.488 Ave N Shift Values>> N :: 121.46(4.28) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I137 1.I137 C Shift Assignments>> CA :: 59.076 CB :: 70.489 CG2 :: 22.601 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.277 HA :: 4.643 HB :: 4.120 HG21 :: 1.119 HG22 :: 1.119 HG23 :: 1.119 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.114 Ave N Shift Values>> N :: 115.42(4.75) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.118 CA :: 65.528 CB :: 31.418 CG :: 28.022 CD :: 51.625 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.446 HB2 :: 1.694 HB3 :: 1.091 HG2 :: 1.308 HG3 :: 1.925 HD2 :: 3.193 HD3 :: 3.817 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.28 L 0.03 V 0.02 I 0.01 C Shift Assignments>> C :: 177.944 CA :: 55.117 CB :: 19.582 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.497 HA :: 4.040 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.718 Ave N Shift Values>> N :: 123.23(3.54) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.2 D 0.2 R 0.11 F 0.09 Y 0.06 N 0.02 HN Overlap>> 1.T73 1.T73 C Shift Assignments>> C :: 175.410 CA :: 55.289 CB :: 42.091 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.405 HA :: 4.562 HB2 :: 2.541 HB3 :: 2.730 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.814 Ave N Shift Values>> N :: 120.65(3.86) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.28 G 0.21 A 0.1 HN Overlap>> 1.E156 1.E156 C Shift Assignments>> C :: 177.403 CA :: 54.654 CB :: 43.624 CG :: 27.021 CD1 :: 22.669 CD2 :: 26.992 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.216 HA :: 4.365 HB2 :: 1.742 HB3 :: 1.754 HG :: 1.549 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.434 HD22 :: 0.434 HD23 :: 0.434 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.837 Ave N Shift Values>> N :: 121.86(3.9) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.25 I 0.03 Q 0.02 K 0.01 C Shift Assignments>> C :: 178.463 CA :: 57.034 CB :: 31.214 CG :: 36.870 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.450 HA :: 4.391 HB2 :: 2.309 HB3 :: 1.863 HG2 :: 2.437 HG3 :: 2.386 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.921 Ave N Shift Values>> N :: 120.67(3.48) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 Q 0.45 C Shift Assignments>> C :: 178.085 CA :: 62.332 CB :: 29.448 CG :: 35.163 CD :: 179.912 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.069 HA :: 3.901 HB2 :: 2.218 HB3 :: 2.126 HG2 :: 2.470 HG3 :: 2.413 HE21 :: 7.445 HE22 :: 6.752 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.159 NE2 :: 111.369 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.43 C Shift Assignments>> C :: 177.821 CA :: 57.394 CB :: 39.240 CG :: 176.522 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.914 HA :: 4.564 HB2 :: 2.790 HB3 :: 2.972 HD21 :: 6.893 HD22 :: 7.648 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.706 ND2 :: 112.138 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 R 0.15 E 0.13 H 0.12 K 0.12 M 0.1 V 0.08 Q 0.06 I 0.01 C Shift Assignments>> C :: 177.819 CA :: 58.813 CB :: 31.412 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.300 HA :: 4.055 HB2 :: 2.569 HB3 :: 1.862 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.261 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.36 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.558 CA :: 61.097 CB :: 29.436 CG :: 36.381 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.537 HA :: 3.700 HB2 :: 2.426 HB3 :: 2.221 HG2 :: 2.478 HG3 :: 2.268 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.148 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 I 0.26 A 0.09 V 0.04 HN Overlap>> 1.D27 1.D27 C Shift Assignments>> C :: 180.662 CA :: 57.516 CB :: 18.497 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.224 HA :: 4.212 HB1 :: 1.618 HB2 :: 1.618 HB3 :: 1.618 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.554 Ave N Shift Values>> N :: 123.23(3.54) 1.R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.32 K 0.17 Q 0.12 M 0.1 W 0.08 R 0.06 H 0.05 E 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 179.025 CA :: 60.051 CB :: 33.346 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.469 HA :: 4.035 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.408 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.043 CA :: 62.627 CB :: 38.726 CD1 :: 133.232 CD2 :: 133.232 CE1 :: 118.541 CE2 :: 118.541 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.446 HA :: 3.677 HB2 :: 2.964 HB3 :: 2.523 HD1 :: 5.725(S) HD2 :: 5.725(S) HE1 :: 5.671(S) HE2 :: 5.671(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.946 Ave N Shift Values>> N :: 120.52(4.2) 1.W133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 178.560 CA :: 60.987 CB :: 30.403 CD1 :: 129.070 CE3 :: 121.351 CZ2 :: 116.244 CZ3 :: 122.165 CH2 :: 125.629 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.304 HA :: 3.686 HB2 :: 2.536 HB3 :: 2.957 HD1 :: 7.003 HE1 :: 10.555 HE3 :: 7.443 HZ2 :: 7.443 HZ3 :: 7.057 HH2 :: 7.251 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.365 NE1 :: 127.896 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.22 I 0.05 M 0.04 R 0.02 C Shift Assignments>> C :: 177.134 CA :: 59.128 CB :: 29.330 CG :: 34.451 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.125 HA :: 3.805 HG3 :: 2.358 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.543 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.42 I 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 178.947 CA :: 55.774 CB :: 19.020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.927 HA :: 4.027 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.069 Ave N Shift Values>> N :: 123.23(3.54) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.4 G 0.07 C Shift Assignments>> C :: 179.617 CA :: 60.194 CB :: 32.862 CG :: 25.903 CD :: 30.027 CE :: 42.907 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.714 HA :: 3.637 HB2 :: 1.857 HB3 :: 1.729 HG2 :: 1.071 HG3 :: 1.079 HD2 :: 1.447 HD3 :: 1.439 HE2 :: 2.809 HE3 :: 2.925 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.729 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.T120 1.T120 C Shift Assignments>> C :: 179.872 CA :: 66.617 CB :: 39.417 CG1 :: 25.006 CG2 :: 17.611 CD1 :: 15.458 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.232 HA :: 3.369 HB :: 1.888 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.063 Ave N Shift Values>> N :: 121.46(4.28) 1.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 K 0.17 L 0.11 I 0.08 D 0.06 R 0.01 C Shift Assignments>> C :: 179.608 CA :: 58.465 CB :: 41.116 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.154 HA :: 4.298 HB2 :: 2.659 HB3 :: 2.851 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.348 Ave N Shift Values>> N :: 120.65(3.86) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.42 I 0.02 C Shift Assignments>> C :: 177.276 CA :: 55.110 CB :: 18.804 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.655 HA :: 4.115 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.677 Ave N Shift Values>> N :: 123.23(3.54) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 175.432 CA :: 61.366 CB :: 65.312 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.383 HA :: 4.225 HB2 :: 3.945 HB3 :: 4.088 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.893 Ave N Shift Values>> N :: 116.28(3.52) 1.Q141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 Q 0.37 HN Overlap>> 1.Q106 1.Q106 C Shift Assignments>> C :: 175.269 CA :: 58.152 CB :: 29.263 CG :: 35.340 CD :: 180.876 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.615 HA :: 3.737 HB2 :: 1.864 HB3 :: 2.020 HG2 :: 1.556 HG3 :: 1.400 HE21 :: 7.040 HE22 :: 6.513 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.470 NE2 :: 112.154 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.041 CA :: 46.394 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.493 HA2 :: 3.378 HA3 :: 3.922 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.254 Ave N Shift Values>> N :: 109.67(3.87) 1.R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 G 0.42 K 0.01 C Shift Assignments>> CA :: 54.793 CB :: 30.715 CG :: 28.016 CD :: 44.320 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.311 HA :: 4.422 HB2 :: 1.764 HB3 :: 1.772 HG2 :: 1.530 HG3 :: 1.632 HD2 :: 3.161 HD3 :: 3.161 HE :: 7.079 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.304 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 175.697 CA :: 64.921 CB :: 32.898 CG :: 28.939 CD :: 51.577 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.043 HB2 :: 2.076 HB3 :: 1.834 HG2 :: 2.038 HG3 :: 1.882 HD2 :: 4.041 HD3 :: 3.584 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.73 T 0.26 C Shift Assignments>> C :: 174.583 CA :: 58.215 CB :: 66.684 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.084 HA :: 4.466 HB2 :: 4.144 HB3 :: 4.019 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.797 Ave N Shift Values>> N :: 116.28(3.52) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.696 CA :: 64.034 CB :: 39.062 CG1 :: 30.645 CG2 :: 18.560 CD1 :: 15.737 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.286 HA :: 4.037 HB :: 1.872 HG12 :: 1.381 HG13 :: 1.384 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.559 Ave N Shift Values>> N :: 121.46(4.28) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.21 Y 0.15 L 0.14 R 0.12 D 0.04 I 0.04 HN Overlap>> 1.L148 1.L148 C Shift Assignments>> C :: 178.611 CA :: 58.487 CB :: 42.080 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.622 HA :: 4.380 HB2 :: 2.568 HB3 :: 2.573 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.563 Ave N Shift Values>> N :: 120.65(3.86) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.15 L 0.07 G 0.06 HN Overlap>> 1.D147 1.A217 1.D147 1.A217 C Shift Assignments>> C :: 177.873 CA :: 59.087 CB :: 42.758 CG :: 28.433 CD2 :: 27.350 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.569 HA :: 4.048 HG :: 1.394 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.695 HD22 :: 0.695 HD23 :: 0.695 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.548 Ave N Shift Values>> N :: 121.86(3.9) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 L 0.3 G 0.07 K 0.02 HN Overlap>> 1.L175 1.L175 C Shift Assignments>> C :: 178.245 CA :: 59.174 CB :: 42.821 CG :: 27.923 CD1 :: 24.643 CD2 :: 26.891 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.493 HA :: 3.792 HB2 :: 1.879 HB3 :: 1.162 HG :: 1.633 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 HD21 :: 0.637 HD22 :: 0.637 HD23 :: 0.637 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.322 Ave N Shift Values>> N :: 121.86(3.9) 1.R150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 R 0.23 C Shift Assignments>> C :: 178.827 CA :: 61.555 CB :: 31.367 CD :: 44.459 CZ :: 159.795 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.387 HA :: 3.742 HB2 :: 1.854 HB3 :: 1.803 HD2 :: 3.154 HD3 :: 2.985 HE :: 7.393 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.198 NE :: 84.765 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.27 L 0.08 V 0.06 I 0.02 T 0.02 C Shift Assignments>> C :: 178.467 CA :: 55.794 CB :: 19.957 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.640 HA :: 4.048 HB1 :: 1.623 HB2 :: 1.623 HB3 :: 1.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.156 Ave N Shift Values>> N :: 123.23(3.54) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.39 R 0.08 G 0.07 C Shift Assignments>> C :: 179.869 CA :: 59.738 CB :: 42.436 CD1 :: 25.051 CD2 :: 26.672 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.012 HA :: 3.666 HB2 :: 1.705 HB3 :: 1.401 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.460 Ave N Shift Values>> N :: 121.86(3.9) 1.I153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 V 0.01 HN Overlap>> 1.V204 1.V204 C Shift Assignments>> C :: 178.830 CA :: 65.455 CB :: 39.745 CG1 :: 30.995 CG2 :: 17.675 CD1 :: 16.853 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.027 HA :: 3.787 HB :: 1.690 HG12 :: 1.686 HG13 :: 1.330 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.460 Ave N Shift Values>> N :: 121.46(4.28) 1.A154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.02 C Shift Assignments>> C :: 178.558 CA :: 54.718 CB :: 17.532 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.513 HA :: 3.748 HB1 :: 0.027(S) HB2 :: 0.027(S) HB3 :: 0.027(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.076 Ave N Shift Values>> N :: 123.23(3.54) 1.Q155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.16 R 0.15 H 0.13 K 0.09 Q 0.08 M 0.07 V 0.06 I 0.02 C Shift Assignments>> C :: 177.030 CA :: 58.895 CB :: 30.870 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.499 HA :: 3.685 HB2 :: 2.021 HB3 :: 1.983 HG2 :: 2.211 HG3 :: 2.378 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.405 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.29 P 0.21 V 0.19 T 0.15 I 0.12 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> CA :: 63.926 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.276 HA :: 3.719 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.748 Ave N Shift Values>> N :: 120.67(3.48) 1.P157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.542 CA :: 66.127 CB :: 32.478 CG :: 28.837 CD :: 51.252 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.147 HB2 :: 2.316 HB3 :: 1.736 HD2 :: 3.643 HD3 :: 3.716 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 K 0.31 G 0.15 A 0.03 R 0.01 C Shift Assignments>> C :: 177.235 CA :: 55.730 CB :: 43.104 CD1 :: 23.396 CD2 :: 27.494 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.886 HA :: 4.239 HB2 :: 2.004 HB3 :: 1.720 HG :: 1.622 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 1.117 HD22 :: 1.117 HD23 :: 1.117 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.847 Ave N Shift Values>> N :: 121.86(3.9) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 A 0.12 R 0.09 C Shift Assignments>> C :: 177.692 CA :: 54.783 CB :: 44.903 CG :: 26.359 CD1 :: 27.965 CD2 :: 22.258 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.227 HA :: 4.426 HB2 :: 1.817 HB3 :: 1.445 HG :: 1.842 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.492 Ave N Shift Values>> N :: 121.86(3.9) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 HN Overlap>> 1.G74 1.G74 C Shift Assignments>> C :: 174.301 CA :: 45.176 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.617 HA2 :: 4.232 HA3 :: 3.860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.256 Ave N Shift Values>> N :: 109.67(3.87) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 V 0.24 A 0.17 I 0.1 T 0.1 L 0.07 HN Overlap>> 1.M21 1.M21 C Shift Assignments>> C :: 180.026 CA :: 57.297 CB :: 19.937 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.318 HA :: 3.861 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.244 Ave N Shift Values>> N :: 123.23(3.54) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.31 G 0.09 C Shift Assignments>> C :: 178.245 CA :: 59.756 CB :: 32.974 CG :: 26.045 CD :: 29.999 CE :: 43.112 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.414 HA :: 4.121 HB2 :: 1.842 HB3 :: 1.836 HG2 :: 1.412 HG3 :: 1.496 HD2 :: 1.680 HD3 :: 1.686 HE2 :: 2.987 HE3 :: 2.981 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.072 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.25 M 0.16 C Shift Assignments>> C :: 178.105 CA :: 59.176 CB :: 31.563 CG :: 38.049 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.952 HA :: 4.302 HB2 :: 2.115 HB3 :: 2.152 HG2 :: 2.423 HG3 :: 2.200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.019 Ave N Shift Values>> N :: 120.67(3.48) 1.K164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 G 0.29 K 0.26 HN Overlap>> 1.V204 1.V204 C Shift Assignments>> C :: 178.179 CA :: 61.641 CB :: 34.192 CG :: 26.498 CD :: 27.215 CE :: 42.801 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.087 HA :: 3.795 HB2 :: 1.738 HB3 :: 1.834 HG2 :: 1.597 HG3 :: 1.530 HE2 :: 3.068 HE3 :: 2.939 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.588 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.14 I 0.14 K 0.11 R 0.1 H 0.1 Q 0.09 V 0.04 M 0.02 HN Overlap>> 1.T25 1.T25 C Shift Assignments>> C :: 177.562 CA :: 59.881 CB :: 29.579 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.116 HA :: 3.854 HB2 :: 2.221 HB3 :: 2.059 HG3 :: 2.405 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.241 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.53 E 0.46 C Shift Assignments>> C :: 178.559 CA :: 60.066 CB :: 29.092 CG :: 34.961 CD :: 180.234 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.684 HA :: 4.145 HB2 :: 2.202 HB3 :: 2.097 HG2 :: 2.447 HG3 :: 2.469 HE21 :: 7.385 HE22 :: 6.785 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.724 NE2 :: 110.916 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.2 L 0.14 D 0.08 I 0.05 R 0.02 HN Overlap>> 1.L201 1.L201 C Shift Assignments>> C :: 178.110 CA :: 58.000 CB :: 41.224 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.373 HA :: 4.291 HB2 :: 2.778 HB3 :: 2.553 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.763 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.556 CA :: 66.225 CB :: 38.960 CG1 :: 31.054 CG2 :: 18.642 CD1 :: 13.885 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.636 HA :: 3.622 HB :: 2.068 HG12 :: 1.460 HG13 :: 1.821 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 HD11 :: 1.012 HD12 :: 1.012 HD13 :: 1.012 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.518 Ave N Shift Values>> N :: 121.46(4.28) 1.D169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.34 I 0.17 L 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 179.897 CA :: 58.722 CB :: 39.890 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.959 HA :: 4.664 HB2 :: 2.698 HB3 :: 2.807 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.351 Ave N Shift Values>> N :: 120.65(3.86) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.4 I 0.06 V 0.03 L 0.01 C Shift Assignments>> C :: 180.406 CA :: 55.981 CB :: 19.141 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.197 HA :: 4.078 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.814 Ave N Shift Values>> N :: 123.23(3.54) 1.T171 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.278 CA :: 67.917 CB :: 69.223 CG2 :: 18.915 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.138 HA :: 3.369 HB :: 3.932 HG21 :: -0.334(S) HG22 :: -0.334(S) HG23 :: -0.334(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.850 Ave N Shift Values>> N :: 115.42(4.75) 1.W172 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.015 CA :: 59.796 CB :: 30.702 CD1 :: 126.853 CZ2 :: 114.853 CH2 :: 124.124 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.194 HA :: 4.124 HB2 :: 3.108 HB3 :: 3.126 HD1 :: 6.619 HE1 :: 9.486 HZ2 :: 5.565(S) HH2 :: 6.508 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.377 NE1 :: 127.212 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.17 C Shift Assignments>> C :: 177.663 CA :: 59.921 CB :: 28.882 CG :: 34.073 CD :: 179.792 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.586 HA :: 3.394 HB2 :: 1.981 HB3 :: 1.993 HG2 :: 2.197 HG3 :: 2.203 HE21 :: 6.628 HE22 :: 7.238 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.409 NE2 :: 111.190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.08 V 0.01 C Shift Assignments>> C :: 178.901 CA :: 56.045 CB :: 18.474 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.312 HA :: 3.837 HB1 :: 1.134 HB2 :: 1.134 HB3 :: 1.134 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.690 Ave N Shift Values>> N :: 123.23(3.54) 1.L175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.12 K 0.08 L 0.02 HN Overlap>> 1.L149 1.L149 C Shift Assignments>> C :: 179.239 CA :: 58.351 CB :: 43.414 CG :: 27.452 CD1 :: 25.270 CD2 :: 29.481 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.458 HA :: 3.581 HB2 :: 0.563 HB3 :: 1.039 HG :: 1.432 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.300 Ave N Shift Values>> N :: 121.86(3.9) 1.S176 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.694 CA :: 60.141 CB :: 63.394 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.750 HA :: 3.372 HB2 :: 1.802(S) HB3 :: 2.960(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.945 Ave N Shift Values>> N :: 116.28(3.52) 1.S177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.860 CA :: 59.682 CB :: 65.017 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.017 HA :: 4.530 HB2 :: 3.858 HB3 :: 3.897 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.277 Ave N Shift Values>> N :: 116.28(3.52) 1.M178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 C Shift Assignments>> C :: 175.783 CA :: 57.042 CB :: 35.912 CG :: 33.623 CE :: 17.664 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.911 HA :: 4.500 HB2 :: 1.911 HB3 :: 2.067 HG2 :: 2.851 HG3 :: 2.416 HE1 :: 1.780 HE2 :: 1.780 HE3 :: 1.780 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.775 Ave N Shift Values>> N :: 120.09(3.57) 1.T179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.699 CA :: 61.578 CB :: 71.841 CG2 :: 22.947 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.137 HA :: 4.450 HB :: 4.629 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.039 Ave N Shift Values>> N :: 115.42(4.75) 1.Q180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.64 E 0.35 C Shift Assignments>> C :: 177.757 CA :: 60.229 CB :: 28.927 CG :: 34.775 CD :: 179.951 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.580 HA :: 3.441 HB2 :: 1.305 HB3 :: 1.636 HG2 :: 1.734 HG3 :: 1.739 HE21 :: 7.201 HE22 :: 6.753 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.747 NE2 :: 111.695 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.38 K 0.03 M 0.01 C Shift Assignments>> C :: 179.003 CA :: 60.655 CB :: 29.637 CG :: 36.941 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.324 HA :: 3.940 HB2 :: 1.972 HB3 :: 1.871 HG2 :: 2.236 HG3 :: 2.308 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.621 Ave N Shift Values>> N :: 120.67(3.48) 1.Q182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.57 E 0.42 HN Overlap>> 1.E86 1.E86 1.E78 1.E78 C Shift Assignments>> C :: 179.169 CA :: 59.323 CB :: 29.701 CG :: 34.917 CD :: 179.977 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.561 HA :: 3.962 HB2 :: 2.200 HB3 :: 1.961 HG2 :: 2.338 HG3 :: 2.400 HE21 :: 7.343 HE22 :: 6.575 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.861 NE2 :: 109.580 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.43 I 0.05 V 0.03 L 0.01 C Shift Assignments>> C :: 179.346 CA :: 55.872 CB :: 19.171 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.322 HA :: 4.029 HB1 :: 1.526 HB2 :: 1.526 HB3 :: 1.526 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.889 Ave N Shift Values>> N :: 123.23(3.54) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.35 C Shift Assignments>> C :: 176.273 CA :: 55.553 CB :: 39.691 CG :: 176.341 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.973 HA :: 4.622 HB2 :: 2.855 HB3 :: 2.870 HD21 :: 6.729 HD22 :: 7.380 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.344 ND2 :: 110.415 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.680 CA :: 62.793 CB :: 71.047 CG2 :: 22.573 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.506 HA :: 4.392 HB :: 4.411 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.274 Ave N Shift Values>> N :: 115.42(4.75) 1.L186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 R 0.4 G 0.06 K 0.01 C Shift Assignments>> C :: 176.160 CA :: 56.643 CB :: 42.925 CG :: 27.315 CD1 :: 24.362 CD2 :: 26.988 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.122 HA :: 4.206 HB2 :: 1.196 HB3 :: 1.890 HG :: 1.967 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.302 Ave N Shift Values>> N :: 121.86(3.9) 1.V187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.052 CA :: 63.192 CB :: 33.817 CG1 :: 21.744 CG2 :: 22.098 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.996 HA :: 4.153 HB :: 1.934 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.483 Ave N Shift Values>> N :: 121.14(4.54) 1.I188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L14 1.D200 1.L14 1.D200 C Shift Assignments>> C :: 175.772 CA :: 60.353 CB :: 40.775 CG1 :: 26.772 CG2 :: 19.367 CD1 :: 14.879 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.979 HA :: 4.412 HB :: 2.028 HG12 :: 1.276 HG13 :: 1.035 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.791 Ave N Shift Values>> N :: 121.46(4.28) 1.N189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.2 N 0.19 F 0.08 Y 0.06 K 0.05 C Shift Assignments>> C :: 177.150 CA :: 53.646 CB :: 40.822 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.585 HA :: 4.891 HB2 :: 2.911 HB3 :: 2.929 HD21 :: 7.593 HD22 :: 6.813 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.251 ND2 :: 113.235 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.33 V 0.05 L 0.04 I 0.03 T 0.01 C Shift Assignments>> C :: 177.771 CA :: 55.794 CB :: 19.678 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.552 HA :: 4.040 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.787 Ave N Shift Values>> N :: 123.23(3.54) 1.D191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.15 F 0.12 Y 0.1 K 0.05 C Shift Assignments>> C :: 177.341 CA :: 54.570 CB :: 40.640 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.278 HA :: 4.612 HB2 :: 2.665 HB3 :: 2.926 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.537 Ave N Shift Values>> N :: 120.65(3.86) 1.E192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 K 0.21 L 0.17 E 0.02 C Shift Assignments>> C :: 176.255 CA :: 57.370 CB :: 28.972 CG :: 39.915 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.581 HA :: 4.606 HG2 :: 2.035 HG3 :: 2.327 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.489 Ave N Shift Values>> N :: 120.67(3.48) 1.N193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.6 N 0.38 C Shift Assignments>> C :: 178.373 CA :: 57.974 CB :: 40.206 CG :: 176.232 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.003 HA :: 4.387 HB2 :: 2.786 HB3 :: 2.864 HD21 :: 6.941 HD22 :: 7.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.180 ND2 :: 111.807 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V15 1.K69 1.V15 1.K69 C Shift Assignments>> C :: 178.376 CA :: 64.984 CB :: 37.170 CG1 :: 29.753 CG2 :: 20.152 CD1 :: 12.487 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.881 HA :: 4.124 HB :: 2.192 HG12 :: 1.285 HG13 :: 1.685 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.612 Ave N Shift Values>> N :: 121.46(4.28) 1.L195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 L 0.11 R 0.02 G 0.01 C Shift Assignments>> C :: 177.949 CA :: 59.643 CB :: 41.837 CD1 :: 24.206 CD2 :: 27.762 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.737 HA :: 4.229 HB2 :: 1.657 HB3 :: 1.998 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.256 Ave N Shift Values>> N :: 121.86(3.9) 1.Q196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.63 E 0.36 C Shift Assignments>> C :: 178.885 CA :: 60.783 CB :: 29.490 CG :: 34.880 CD :: 179.604 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.569 HA :: 3.829 HB2 :: 2.229 HB3 :: 2.201 HG2 :: 2.424 HG3 :: 2.420 HE21 :: 7.115 HE22 :: 6.769 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.375 NE2 :: 110.169 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G197 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 177.369 CA :: 47.216 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.581 HA2 :: 3.185 HA3 :: 2.543(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.115 Ave N Shift Values>> N :: 109.67(3.87) 1.W198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.530 CA :: 62.286 CB :: 30.899 CD1 :: 127.225 CZ2 :: 115.469 CH2 :: 124.888 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.195 HA :: 4.570 HB2 :: 3.337 HB3 :: 3.371 HD1 :: 6.969 HE1 :: 11.201 HZ2 :: 7.399 HH2 :: 7.146 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.174 NE1 :: 130.240 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.24 K 0.03 C Shift Assignments>> C :: 179.980 CA :: 58.600 CB :: 41.270 CG :: 28.016 CD1 :: 26.936 CD2 :: 23.298 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.602 HA :: 4.118 HB2 :: 1.910 HB3 :: 1.612 HG :: 1.848 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.151 Ave N Shift Values>> N :: 121.86(3.9) 1.D200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 K 0.16 F 0.16 L 0.16 Y 0.11 D 0.03 G 0.02 I 0.02 HN Overlap>> 1.I188 1.L14 1.I188 1.L14 C Shift Assignments>> C :: 177.749 CA :: 58.500 CB :: 42.859 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.989 HA :: 4.686 HB2 :: 2.940 HB3 :: 3.053 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.808 Ave N Shift Values>> N :: 120.65(3.86) 1.L201 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.85 A 0.13 HN Overlap>> 1.N167 1.N167 C Shift Assignments>> C :: 178.379 CA :: 58.786 CB :: 39.878 CG :: 26.228 CD1 :: 20.838 CD2 :: 25.045 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.444 HA :: 3.449 HB2 :: -0.739(S) HB3 :: 1.458 HG :: 1.019 HD11 :: -0.158 HD12 :: -0.158 HD13 :: -0.158 HD21 :: -0.532(S) HD22 :: -0.532(S) HD23 :: -0.532(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.845 Ave N Shift Values>> N :: 121.86(3.9) 1.Q202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.83 E 0.16 HN Overlap>> 1.K216 1.K216 C Shift Assignments>> C :: 176.688 CA :: 61.082 CB :: 29.937 CG :: 34.819 CD :: 176.872 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.191 HA :: 3.901 HB2 :: 2.706 HB3 :: 2.705 HG2 :: 1.589 HG3 :: 1.774 HE21 :: 5.783 HE22 :: 7.813 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.924 NE2 :: 111.192 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 R 0.3 K 0.01 HN Overlap>> 1.D211 1.D211 C Shift Assignments>> C :: 178.275 CA :: 60.981 CB :: 30.670 CG :: 28.270 CD :: 44.345 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.801 HA :: 4.185 HB2 :: 2.147 HB3 :: 2.264 HG2 :: 1.927 HG3 :: 1.792 HD2 :: 3.360 HD3 :: 3.362 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.272 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K164 1.I153 1.K164 1.I153 C Shift Assignments>> C :: 178.997 CA :: 67.564 CB :: 32.706 CG1 :: 23.838 CG2 :: 22.045 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.095 HA :: 3.680 HB :: 2.387 HG11 :: 1.146 HG12 :: 1.146 HG13 :: 1.146 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.550 Ave N Shift Values>> N :: 121.14(4.54) 1.W205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.240 CA :: 62.278 CB :: 29.951 CD1 :: 127.793 CZ2 :: 115.059 CZ3 :: 123.204 CH2 :: 125.837 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.513 HA :: 4.352 HB2 :: 3.144 HB3 :: 3.794 HD1 :: 7.059 HE1 :: 10.304 HZ2 :: 7.493 HZ3 :: 6.917 HH2 :: 7.241 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.902 NE1 :: 129.656 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 179.211 CA :: 61.625 CB :: 39.404 CD1 :: 132.039 CD2 :: 132.039 CE1 :: 132.067 CE2 :: 132.067 CZ :: 130.603 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.905 HA :: 3.788 HB2 :: 3.109 HB3 :: 3.184 HD1 :: 7.156 HD2 :: 7.156 HE1 :: 7.248 HE2 :: 7.248 HZ :: 7.083 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.282 Ave N Shift Values>> N :: 120.45(4.18) 1.D207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.19 L 0.19 Y 0.14 D 0.11 R 0.05 I 0.02 C Shift Assignments>> C :: 177.724 CA :: 57.258 CB :: 41.621 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.210 HA :: 4.515 HB2 :: 2.804 HB3 :: 2.677 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.253 Ave N Shift Values>> N :: 120.65(3.86) 1.N208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 K 0.19 F 0.1 Y 0.07 R 0.05 N 0.04 C Shift Assignments>> C :: 175.634 CA :: 55.148 CB :: 41.684 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.808 HA :: 5.064 HB2 :: 2.635 HB3 :: 2.590 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.664 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R209 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.6 G 0.39 C Shift Assignments>> C :: 176.265 CA :: 59.963 CB :: 29.421 CG :: 25.637 CD :: 43.894 CZ :: 159.009 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.776 HA :: 3.726 HB2 :: 1.231 HB3 :: 1.010 HG2 :: 1.215 HG3 :: 0.997 HD2 :: 1.665(S) HD3 :: 2.051(S) HE :: 6.767 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.549 NE :: 85.453 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.42 HN Overlap>> 1.Q34 1.Q34 C Shift Assignments>> C :: 174.273 CA :: 54.589 CB :: 39.652 CG :: 177.227 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.123 HA :: 4.728 HB2 :: 2.665 HB3 :: 2.869 HD21 :: 7.434 HD22 :: 6.708 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.614 ND2 :: 112.482 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.16 D 0.15 F 0.02 N 0.01 K 0.01 Y 0.01 HN Overlap>> 1.R203 1.R203 C Shift Assignments>> CA :: 51.911 CB :: 43.618 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.844 HA :: 5.150 HB2 :: 2.428 HB3 :: 2.962 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.342 Ave N Shift Values>> N :: 120.65(3.86) 1.P212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.416 CA :: 66.423 CB :: 33.324 CG :: 28.335 CD :: 51.525 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.161 HB2 :: 2.262 HB3 :: 1.930 HG2 :: 2.089 HG3 :: 1.947 HD2 :: 3.915 HD3 :: 3.633 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 K 0.18 L 0.1 I 0.08 D 0.04 R 0.02 C Shift Assignments>> C :: 179.522 CA :: 58.722 CB :: 41.220 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.111 HA :: 4.456 HB2 :: 2.645 HB3 :: 2.736 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.251 Ave N Shift Values>> N :: 120.65(3.86) 1.M214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 Q 0.29 E 0.12 C Shift Assignments>> C :: 179.964 CA :: 58.241 CB :: 32.830 CG :: 33.819 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.864 HA :: 4.414 HB3 :: 2.173 HG2 :: 2.714 HG3 :: 2.512 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.848 Ave N Shift Values>> N :: 120.09(3.57) 1.M215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.02 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> C :: 177.817 CA :: 59.158 CB :: 33.004 CG :: 32.983 CE :: 18.881 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.799 HA :: 4.134 HB2 :: 2.261 HB3 :: 2.150 HG2 :: 2.835 HG3 :: 2.842 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.783 Ave N Shift Values>> N :: 120.09(3.57) 1.K216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.2 K 0.14 HN Overlap>> 1.Q202 1.Q202 C Shift Assignments>> C :: 179.274 CA :: 61.456 CB :: 33.322 CG :: 26.224 CD :: 30.557 CE :: 43.137 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.152 HA :: 3.870 HB2 :: 1.946 HB3 :: 1.951 HG2 :: 1.455 HG3 :: 1.623 HD2 :: 1.737 HD3 :: 1.729 HE2 :: 2.997 HE3 :: 2.989 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.932 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.42 I 0.05 V 0.02 L 0.01 HN Overlap>> 1.L148 1.R56 1.L148 1.R56 C Shift Assignments>> C :: 180.243 CA :: 55.858 CB :: 19.128 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.488 HA :: 4.194 HB1 :: 1.513 HB2 :: 1.513 HB3 :: 1.513 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.624 Ave N Shift Values>> N :: 123.23(3.54) 1.G218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 P 0.31 A 0.13 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 177.028 CA :: 48.127 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.479 HA2 :: 3.599 HA3 :: 4.007 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.860 Ave N Shift Values>> N :: 109.67(3.87) 1.I219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 V 0.02 C Shift Assignments>> C :: 177.048 CA :: 67.000 CB :: 39.389 CG1 :: 30.464 CG2 :: 19.028 CD1 :: 16.230 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.681 HA :: 3.651 HB :: 1.858 HG12 :: 0.642 HG13 :: 1.856 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.166 Ave N Shift Values>> N :: 121.46(4.28) 1.A220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.34 I 0.07 V 0.02 C Shift Assignments>> C :: 181.024 CA :: 56.049 CB :: 18.816 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.581 HA :: 4.531 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.843 Ave N Shift Values>> N :: 123.23(3.54) 1.D221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 R 0.2 F 0.17 L 0.16 Y 0.12 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 177.904 CA :: 58.263 CB :: 42.420 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.002 HA :: 4.409 HB2 :: 2.721 HB3 :: 2.840 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.613 Ave N Shift Values>> N :: 120.65(3.86) 1.W222 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.227 CA :: 64.169 CB :: 29.167 CD1 :: 125.984 CZ2 :: 113.753 CH2 :: 125.699 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.356 HA :: 4.001 HB2 :: 3.724 HB3 :: 3.198 HD1 :: 7.482 HE1 :: 9.774 HZ2 :: 6.036(S) HH2 :: 5.957 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.405 NE1 :: 131.650 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.26 M 0.11 C Shift Assignments>> C :: 177.886 CA :: 60.067 CB :: 31.242 CG :: 37.266 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.647 HA :: 3.107 HB2 :: 1.869 HB3 :: 2.357 HG2 :: 2.177 HG3 :: 2.949 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.454 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.27 G 0.09 C Shift Assignments>> C :: 177.946 CA :: 58.912 CB :: 33.504 CG :: 26.063 CD :: 30.103 CE :: 43.215 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.050 HA :: 3.872 HB2 :: 1.849 HB3 :: 1.814 HG2 :: 1.572 HG3 :: 1.359 HD2 :: 1.627 HD3 :: 1.620 HE2 :: 2.939 HE3 :: 2.934 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.985 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 R 0.15 HN Overlap>> 1.V242 1.V242 C Shift Assignments>> C :: 176.317 CA :: 59.340 CB :: 32.314 CG :: 29.710 CD :: 44.617 CZ :: 160.327 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.397 HA :: 3.812 HB2 :: 1.646 HB3 :: 1.278 HG2 :: 1.148 HG3 :: 1.622 HD2 :: 3.204 HD3 :: 3.102 HE :: 7.196 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.606 NE :: 84.608 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y226 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.97 H 0.02 C Shift Assignments>> CA :: 56.814 CB :: 38.594 CD1 :: 135.489 CD2 :: 135.489 CE1 :: 118.059 CE2 :: 118.059 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.253 HA :: 4.566 HB2 :: 1.438(S) HB3 :: 2.559 HD1 :: 6.731 HD2 :: 6.731 HE1 :: 6.824 HE2 :: 6.824 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.235 Ave N Shift Values>> N :: 120.52(4.2) 1.P227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.305 CA :: 65.593 CB :: 32.679 CG :: 28.035 CD :: 50.527 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.072 HB2 :: 2.064 HB3 :: 1.735 HG2 :: 1.785 HG3 :: 1.631 HD2 :: 3.002 HD3 :: 3.185 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.39 C Shift Assignments>> C :: 175.450 CA :: 53.335 CB :: 39.381 CG :: 177.687 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.000 HA :: 4.599 HB2 :: 2.646 HB3 :: 2.769 HD21 :: 6.878 HD22 :: 7.399 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.641 ND2 :: 113.058 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.08 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> CA :: 53.644 CB :: 41.125 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.673 HA :: 4.396 HB2 :: 2.531 HB3 :: 2.265 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.855 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 S 0.21 C Shift Assignments>> C :: 178.591 CA :: 67.209 CB :: 33.948 CG :: 29.394 CD :: 52.157 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.094 HB2 :: 1.953 HB3 :: 2.382 HG2 :: 2.382 HG3 :: 1.963 HD2 :: 3.922 HD3 :: 3.447 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.525 CA :: 46.336 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.742 HA2 :: 3.201 HA3 :: 4.451 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.291 Ave N Shift Values>> N :: 109.67(3.87) 1.A232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.24 L 0.04 V 0.02 I 0.01 HN Overlap>> 1.L115 1.K103 1.L115 1.K103 C Shift Assignments>> C :: 179.689 CA :: 55.118 CB :: 19.766 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.535 HA :: 4.155 HB1 :: 1.073 HB2 :: 1.073 HB3 :: 1.073 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.719 Ave N Shift Values>> N :: 123.23(3.54) 1.K233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.26 G 0.07 C Shift Assignments>> C :: 176.575 CA :: 57.944 CB :: 34.491 CG :: 26.059 CD :: 30.069 CE :: 43.150 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.879 HA :: 4.162 HB2 :: 1.736 HB3 :: 1.834 HG2 :: 1.362 HG3 :: 1.437 HD2 :: 1.596 HD3 :: 1.630 HE2 :: 2.926 HE3 :: 2.933 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.929 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.32 C Shift Assignments>> C :: 171.407 CA :: 55.569 CB :: 35.334 CG :: 32.985 CE :: 17.670 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.634 HA :: 4.312 HB2 :: 2.045 HB3 :: 1.788 HG2 :: 2.243 HG3 :: 2.376 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.511 Ave N Shift Values>> N :: 120.09(3.57) 1.L235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.32 R 0.09 K 0.03 C Shift Assignments>> CA :: 54.575 CB :: 43.837 CD1 :: 25.283 CD2 :: 26.846 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.519 HA :: 4.738 HB2 :: 1.026 HB3 :: 1.340 HG :: 1.646 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.946 Ave N Shift Values>> N :: 121.86(3.9) 1.P236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.650 CA :: 63.862 CB :: 32.964 CG :: 26.773 CD :: 50.601 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.512 HB2 :: 2.265 HB3 :: 2.436 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.136 CA :: 67.679 CB :: 69.522 CG2 :: 22.879 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.960 HA :: 3.622 HB :: 3.900 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.442 Ave N Shift Values>> N :: 115.42(4.75) 1.Q238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 Q 0.48 C Shift Assignments>> C :: 177.397 CA :: 59.762 CB :: 29.889 CG :: 34.969 CD :: 180.318 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.722 HA :: 3.922 HB2 :: 1.635 HB3 :: 2.122 HG2 :: 2.609 HG3 :: 2.399 HE21 :: 7.408 HE22 :: 6.911 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.428 NE2 :: 109.913 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L239 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.72 R 0.14 G 0.07 A 0.06 C Shift Assignments>> C :: 176.896 CA :: 55.460 CB :: 43.077 CG :: 27.376 CD1 :: 25.303 CD2 :: 22.530 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.412 HA :: 4.195 HB2 :: 1.220 HB3 :: 1.231 HG :: 0.318(S) HD11 :: -0.510(S) HD12 :: -0.510(S) HD13 :: -0.510(S) HD21 :: 0.316 HD22 :: 0.316 HD23 :: 0.316 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.007 Ave N Shift Values>> N :: 121.86(3.9) 1.V240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.694 CA :: 65.655 CB :: 33.201 CG1 :: 22.168 CG2 :: 23.315 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.313 HA :: 3.677 HB :: 2.035 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.023 Ave N Shift Values>> N :: 121.14(4.54) 1.N241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.36 C Shift Assignments>> C :: 175.353 CA :: 54.228 CB :: 39.541 CG :: 177.022 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.749 HA :: 4.696 HB2 :: 2.812 HB3 :: 2.655 HD21 :: 6.785 HD22 :: 7.390 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.188 ND2 :: 111.938 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R225 1.R225 C Shift Assignments>> C :: 176.038 CA :: 64.547 CB :: 33.042 CG1 :: 22.213 CG2 :: 22.133 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.497 HA :: 3.927 HB :: 2.091 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.604 Ave N Shift Values>> N :: 121.14(4.54) 1.K243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.32 G 0.06 HN Overlap>> 1.V15 1.K69 1.A90 1.V15 1.K69 1.A90 C Shift Assignments>> C :: 175.957 CA :: 57.473 CB :: 34.154 CG :: 25.876 CD :: 30.087 CE :: 43.120 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.003 HA :: 4.228 HB2 :: 1.822 HB3 :: 1.720 HG2 :: 1.439 HG3 :: 1.409 HD2 :: 1.638 HD3 :: 1.641 HE2 :: 2.963 HE3 :: 2.965 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.05 M 0.05 HN Overlap>> 1.K69 1.K69 C Shift Assignments>> C :: 177.028 CA :: 53.286 CB :: 20.359 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.909 HA :: 4.245 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.727 Ave N Shift Values>> N :: 123.23(3.54) 1.F245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.R93 1.R93 C Shift Assignments>> C :: 174.838 CA :: 58.941 CB :: 40.722 CD1 :: 132.666 CD2 :: 132.666 CE1 :: 132.493 CE2 :: 132.493 CZ :: 130.800 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.920 HA :: 4.538 HB2 :: 3.075 HB3 :: 3.028 HD1 :: 7.229 HD2 :: 7.229 HE1 :: 7.320 HE2 :: 7.320 HZ :: 7.282 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.218 Ave N Shift Values>> N :: 120.45(4.18) 1.K246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.2 G 0.14 HN Overlap>> 1.A105 1.A105 C Shift Assignments>> CA :: 54.371 CB :: 34.202 CG :: 25.723 CD :: 30.346 CE :: 43.349 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.860 HA :: 4.532 HB2 :: 1.716 HB3 :: 1.605 HG2 :: 1.328 HG3 :: 1.352 HD2 :: 1.629 HD3 :: 1.652 HE2 :: 2.979 HE3 :: 2.938 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.013 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.409 CA :: 63.933 CB :: 33.118 CG :: 28.204 CD :: 51.620 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.309 HB2 :: 2.282 HB3 :: 2.278 HG2 :: 1.988 HG3 :: 1.940 HD2 :: 3.573 HD3 :: 3.571 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.06 M 0.06 C Shift Assignments>> C :: 177.563 CA :: 53.491 CB :: 20.390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.249 HA :: 4.313 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.096 Ave N Shift Values>> N :: 123.23(3.54) 1.S249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.T55 1.T55 C Shift Assignments>> C :: 173.840 CA :: 59.279 CB :: 65.058 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.124 HA :: 4.473 HB2 :: 3.843 HB3 :: 3.871 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.889 Ave N Shift Values>> N :: 116.28(3.52) 1.T250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.075 CB :: 71.683 CG2 :: 22.954 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.685 HA :: 4.164 HB :: 4.222 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.090 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 234 #Clerical: 0 #Suspicious: 15 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 239 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 249 #Suspicious: 1 C Shift Results: #Consistent:1036 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1583 #Duplicate: 0 #Unknown: 0 #Suspicious: 34 #Anomalous: 1 N Shift Results: #Consistent: 264 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.S29 HB2 = 2.569(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.5713e-07 1.Q47 HB2 = 0.255(S), Expected = 2.05, Std = 0.2500, ChiSquare = 6.9711e-13 1.Q47 HB3 = -0.376(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.1570e-17 1.Q47 HG2 = -0.111(A), Expected = 2.32, Std = 0.2700, ChiSquare = 2.1823e-19 1.Q47 HG3 = 0.797(S), Expected = 2.29, Std = 0.2900, ChiSquare = 2.6289e-07 1.Q47 HE22 = 5.378(S), Expected = 7.02, Std = 0.4400, ChiSquare = 1.9010e-04 1.Q60 HE22 = 5.414(S), Expected = 7.02, Std = 0.4400, ChiSquare = 2.6224e-04 1.Q60 NE2 = 104.104(S), Expected = 111.87, Std = 1.7200, ChiSquare = 6.3282e-06 1.L62 HB3 = -0.217(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.4000e-06 1.K107 HA = 2.781(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1414e-04 1.K107 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K107 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.Y132 HD1 = 5.725(S), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9027e-05 1.Y132 HD2 = 5.725(S), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9027e-05 1.Y132 HE1 = 5.671(S), Expected = 6.70, Std = 0.2300, ChiSquare = 7.6801e-06 1.Y132 HE2 = 5.671(S), Expected = 6.71, Std = 0.2300, ChiSquare = 6.2606e-06 1.A154 HB1 = 0.027(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.6098e-07 1.A154 HB2 = 0.027(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.6098e-07 1.A154 HB3 = 0.027(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.6098e-07 1.T171 HG21 = -0.334(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.4677e-10 1.T171 HG22 = -0.334(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.4677e-10 1.T171 HG23 = -0.334(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.4677e-10 1.W172 HZ2 = 5.565(S), Expected = 7.28, Std = 0.3300, ChiSquare = 2.0256e-07 1.S176 HB2 = 1.802(S), Expected = 3.88, Std = 0.2500, ChiSquare = 9.4102e-17 1.S176 HB3 = 2.960(S), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7969e-04 1.G197 HA3 = 2.543(S), Expected = 3.90, Std = 0.3700, ChiSquare = 2.4487e-04 1.L201 HB2 = -0.739(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.8869e-12 1.L201 HD21 = -0.532(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3507e-05 1.L201 HD22 = -0.532(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3507e-05 1.L201 HD23 = -0.532(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3507e-05 1.R209 HD2 = 1.665(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.3402e-09 1.R209 HD3 = 2.051(S), Expected = 3.10, Std = 0.2600, ChiSquare = 5.4692e-05 1.W222 HZ2 = 6.036(S), Expected = 7.28, Std = 0.3300, ChiSquare = 1.6345e-04 1.Y226 HB2 = 1.438(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.9387e-05 1.L239 HG = 0.318(S), Expected = 1.51, Std = 0.3300, ChiSquare = 3.0370e-04 1.L239 HD11 = -0.510(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7953e-06 1.L239 HD12 = -0.510(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7953e-06 1.L239 HD13 = -0.510(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7953e-06