Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.15 HN Overlap>> 2.M3 2.M3 C Shift Assignments>> C :: 176.099 CA :: 55.455 CB :: 32.966 CG :: 31.951 CE :: 17.136 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 :: 8.509 HA :: 4.387 HB2 :: 1.905 HB3 :: 2.202 HG2 :: 1.982 HG3 :: 2.309 HE1 :: 2.318 HE2 :: 2.318 HE3 :: 2.318 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 :: 119.326 Ave N Shift Values>> N :: 120.09(3.57) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 C Shift Assignments>> C :: 172.991 CA :: 45.276 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.281 HA2 :: 3.751 HA3 :: 4.048 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.705 Ave N Shift Values>> N :: 109.67(3.87) 1.W3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 177.848 CA :: 56.090 CB :: 30.252 CD1 :: 127.106 CE3 :: 121.423 CZ2 :: 115.162 CZ3 :: 122.948 CH2 :: 125.212 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 :: 7.869 HA :: 4.825 HB2 :: 2.842 HB3 :: 3.535 HD1 :: 7.089 HE1 :: 9.947 HE3 :: 7.967 HZ2 :: 7.635 HZ3 :: 7.312 HH2 :: 7.284 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 :: 120.288 NE1 :: 129.043 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 M 0.38 C Shift Assignments>> CA :: 59.501 CB :: 32.386 CG :: 32.838 CE :: 17.108 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 :: 7.440 HA :: 4.301 HB2 :: 2.505 HB3 :: 2.710 HG2 :: 2.834 HG3 :: 3.067 HE1 :: 1.895 HE2 :: 1.895 HE3 :: 1.895 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) 1.F5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.51 C 0.29 Y 0.19 C Shift Assignments>> C :: 178.480 CA :: 62.398 CB :: 40.817 CD1 :: 132.578 CE1 :: 129.781 CZ :: 127.364 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 :: 10.311 HA :: 3.382 HB2 :: 2.448 HB3 :: 2.774 HD1 :: 6.264 HD2 :: 6.264 HE1 :: 5.841(S) HE2 :: 5.841(S) HZ :: 5.995 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 :: 119.730 Ave N Shift Values>> N :: 120.45(4.18) 1.K6 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.77 R 0.19 K 0.03 C Shift Assignments>> C :: 177.002 CA :: 59.071 CB :: 33.626 CG :: 27.121 CD :: 31.674 CE :: 41.363 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>> HB2 :: 1.800 HB3 :: 2.140 HG2 :: 1.770 HG3 :: 1.770 HD2 :: 1.525 HD3 :: 1.610 HE2 :: 1.600(S) HE3 :: 2.480 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) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) (HE2 > HG2 : 0.9988) (HE2 > HG3 : 0.9987) (HE2 > HD3 : 0.9989) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.09 I 0.08 Q 0.06 M 0.03 HN Overlap>> 1.H13 1.H13 C Shift Assignments>> C :: 178.786 CA :: 58.293 CB :: 29.607 CG :: 36.039 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 :: 7.780 HA :: 4.029 HB2 :: 2.100 HB3 :: 2.163 HG2 :: 2.305 HG3 :: 2.405 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 :: 118.804 Ave N Shift Values>> N :: 120.67(3.48) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.15 F 0.11 Y 0.08 C 0.05 N 0.05 R 0.02 C Shift Assignments>> C :: 175.492 CA :: 55.131 CB :: 41.343 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 :: 7.743 HA :: 4.387 HB2 :: 2.154 HB3 :: 2.154 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 :: 115.801 Ave N Shift Values>> N :: 120.65(3.86) 1.H9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 W 0.33 H 0.3 C Shift Assignments>> C :: 174.125 CA :: 54.879 CB :: 32.394 CD2 :: 125.147 CE1 :: 137.479 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 :: 6.855 HA :: 4.780 HB2 :: 2.018 HB3 :: 2.643 HD2 :: 6.320 HE1 :: 6.348(S) 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 :: 115.033 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.137 CA :: 57.867 CB :: 64.775 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.118 HA :: 4.423 HB2 :: 4.074 HB3 :: 4.351 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 :: 122.214 Ave N Shift Values>> N :: 116.28(3.52) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.42 R 0.04 C Shift Assignments>> C :: 178.482 CA :: 58.896 CB :: 41.621 CG :: 27.185 CD1 :: 23.801 CD2 :: 25.810 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 :: 8.931 HA :: 4.004 HB2 :: 1.666 HB3 :: 1.845 HG :: 1.555 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 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 :: 124.156 Ave N Shift Values>> N :: 121.86(3.9) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.31 E 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.743 CA :: 60.373 CB :: 29.049 CG :: 36.554 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 :: 8.910 HA :: 3.996 HB2 :: 1.923 HB3 :: 2.061 HG2 :: 2.333 HG3 :: 2.333 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 :: 117.893 Ave N Shift Values>> N :: 120.67(3.48) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.33 H 0.29 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 178.312 CA :: 59.435 CB :: 30.491 CD2 :: 120.117 CE1 :: 138.659 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 :: 7.844 HA :: 4.245 HB2 :: 3.229 HB3 :: 3.340 HD2 :: 6.619 HE1 :: 7.846 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 :: 118.823 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.19 K 0.02 C Shift Assignments>> C :: 177.447 CA :: 61.997 CB :: 31.474 CG :: 30.999 CD :: 43.350 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 :: 8.705 HA :: 3.960 HB2 :: 2.290 HB3 :: 2.290 HG2 :: 1.070 HG3 :: 1.540 HD2 :: 2.580 HD3 :: 3.620 HE :: 6.597 HH11 :: 6.850 HH12 :: 6.950 HH21 :: 6.847 HH22 :: 6.946 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 :: 119.618 NE :: 84.073 NH1 :: 72.110 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.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 I 0.37 C 0.11 W 0.01 R 0.01 C Shift Assignments>> C :: 178.170 CA :: 63.144 CB :: 27.187 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.624 HA :: 4.547 HB2 :: 2.827 HB3 :: 3.146 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.318 Ave N Shift Values>> N :: 120.17(4.64) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.615 CA :: 66.020 CB :: 32.034 CG1 :: 21.351 CG2 :: 23.137 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 :: 7.667 HA :: 3.737 HB :: 2.184 HG11 :: 0.958 HG12 :: 0.958 HG13 :: 0.958 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 119.948 Ave N Shift Values>> N :: 121.14(4.54) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 I 0.13 K 0.04 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.441 CA :: 59.385 CB :: 29.904 CG :: 36.376 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 :: 8.406 HA :: 4.132 HB2 :: 2.205 HB3 :: 2.205 HG2 :: 2.247 HG3 :: 2.247 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 :: 120.382 Ave N Shift Values>> N :: 120.67(3.48) 1.S18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.788 CA :: 61.832 CB :: 59.645 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.952 HA :: 3.310 HB2 :: 3.030(S) HB3 :: 3.098 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 :: 115.563 Ave N Shift Values>> N :: 116.28(3.52) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 181.137 CA :: 55.345 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.289 HA :: 4.068 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.517 Ave N Shift Values>> N :: 123.23(3.54) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.09 C Shift Assignments>> C :: 179.993 CA :: 59.679 CB :: 32.657 CG :: 25.329 CD :: 29.712 CE :: 41.949 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 :: 8.004 HA :: 4.018 HB2 :: 1.884 HB3 :: 2.014 HG2 :: 1.403 HG3 :: 1.688 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.904 HE3 :: 2.904 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 :: 119.911 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.954 CA :: 65.703 CB :: 38.410 CG1 :: 29.986 CG2 :: 18.699 CD1 :: 14.694 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 :: 8.210 HA :: 3.723 HB :: 1.804 HG12 :: 1.079 HG13 :: 1.985 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 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 :: 120.985 Ave N Shift Values>> N :: 121.46(4.28) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.31 K 0.21 L 0.06 HN Overlap>> 2.I14 2.I14 C Shift Assignments>> C :: 178.305 CA :: 57.793 CB :: 28.937 CG :: 27.014 CD :: 42.147 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 :: 8.449 HA :: 4.085 HB2 :: 1.763 HB3 :: 1.870 HG2 :: 1.556 HG3 :: 1.828 HD2 :: 3.037 HD3 :: 3.297 HE :: 7.269 HH21 :: 6.983 HH22 :: 6.983 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 :: 119.664 NE :: 83.206 NH2 :: 72.480 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.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.3 C 0.02 C Shift Assignments>> C :: 179.017 CA :: 53.873 CB :: 18.457 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.354 HA :: 4.108 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.243 Ave N Shift Values>> N :: 123.23(3.54) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.1 C Shift Assignments>> C :: 176.044 CA :: 57.778 CB :: 33.836 CG :: 25.018 CD :: 29.166 CE :: 42.161 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 :: 7.463 HA :: 3.926 HB2 :: 1.438 HB3 :: 1.599 HG2 :: 0.552 HG3 :: 0.936 HD2 :: 1.456 HD3 :: 1.456 HE2 :: 2.796 HE3 :: 2.854 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 :: 117.674 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> C :: 173.247 CA :: 54.197 CB :: 38.198 CD1 :: 134.245 CE1 :: 117.385 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 :: 8.141 HA :: 5.019 HB2 :: 2.645 HB3 :: 2.846 HD1 :: 7.224 HD2 :: 7.224 HE1 :: 6.691 HE2 :: 6.691 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 :: 115.711 Ave N Shift Values>> N :: 120.52(4.2) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> C :: 177.037 CA :: 64.790 CB :: 31.967 CG :: 27.224 CD :: 50.175 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 :: 4.542 HB2 :: 1.990 HB3 :: 2.340 HG2 :: 1.901 HG3 :: 1.970 HD2 :: 3.250 HD3 :: 3.601 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>> D 0.32 N 0.31 L 0.13 F 0.08 Y 0.06 C 0.06 K 0.01 C Shift Assignments>> C :: 175.308 CA :: 53.335 CB :: 40.136 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 :: 8.786 HA :: 4.636 HB2 :: 2.688 HB3 :: 2.880 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 :: 115.606 Ave N Shift Values>> N :: 120.65(3.86) 1.R28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.46 G 0.21 R 0.17 K 0.14 C Shift Assignments>> C :: 174.824 CA :: 53.749 CB :: 34.459 CG :: 28.267 CD :: 43.534 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 :: 7.757 HA :: 4.950 HB2 :: 1.063 HB3 :: 1.438 HG2 :: 1.221 HG3 :: 1.464 HD2 :: 2.507 HD3 :: 2.597 HE :: 7.873 HH11 :: 7.545 HH12 :: 10.246(A) 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 :: 118.492 NE :: 84.073 NH1 :: 77.214 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.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.15 V 0.05 C Shift Assignments>> C :: 173.614 CA :: 56.823 CB :: 33.166 CG1 :: 18.464 CG2 :: 21.995 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 :: 9.022 HA :: 4.192 HB :: 1.213 HG11 :: 0.443 HG12 :: 0.443 HG13 :: 0.443 HG21 :: 0.387 HG22 :: 0.387 HG23 :: 0.387 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 :: 115.740 Ave N Shift Values>> N :: 121.14(4.54) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> C :: 174.293 CA :: 61.398 CB :: 30.867 CG :: 26.603 CD :: 49.831 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 :: 4.758 HB2 :: 1.501 HB3 :: 1.928 HG2 :: 1.398 HG3 :: 2.474 HD2 :: 3.115 HD3 :: 3.249 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.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 173.654 CA :: 60.697 CB :: 34.935 CG1 :: 22.950 CG2 :: 23.266 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 :: 9.292 HA :: 4.998 HB :: 1.994 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 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 :: 126.417 Ave N Shift Values>> N :: 121.14(4.54) 1.I32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 A 0.2 C Shift Assignments>> C :: 174.749 CA :: 56.629 CB :: 36.274 CG1 :: 25.754 CG2 :: 18.022 CD1 :: 7.132(S) 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 :: 8.839 HA :: 4.646 HB :: 1.208 HG12 :: -0.215(S) HG13 :: 0.485 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 HD11 :: -0.696(S) HD12 :: -0.696(S) HD13 :: -0.696(S) 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 :: 128.635 Ave N Shift Values>> N :: 121.46(4.28) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 175.509 CA :: 60.075 CB :: 33.980 CG1 :: 22.642 CG2 :: 22.340 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 :: 9.543 HA :: 5.848 HB :: 2.085 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 126.874 Ave N Shift Values>> N :: 121.14(4.54) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 E 0.01 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 174.530 CA :: 55.657 CB :: 35.129 CG :: 37.953 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 :: 8.865 HA :: 4.970 HB2 :: 2.214 HB3 :: 2.297 HG2 :: 2.769 HG3 :: 2.769 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 :: 124.503 Ave N Shift Values>> N :: 120.67(3.48) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.37 R 0.08 G 0.02 A 0.02 C Shift Assignments>> C :: 177.075 CA :: 55.669 CB :: 32.925 CG :: 23.174 CD :: 29.890 CE :: 42.540 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 :: 8.846 HA :: 3.534 HB2 :: 1.379 HB3 :: 1.457 HG2 :: 0.837 HG3 :: 1.374 HD2 :: 1.371 HD3 :: 1.543 HE2 :: 3.011 HE3 :: 3.011 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 :: 124.059 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 177.137 CA :: 63.710 CB :: 32.463 CG1 :: 21.122 CG2 :: 23.281 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 :: 8.399 HA :: 3.631 HB :: 1.739 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 124.170 Ave N Shift Values>> N :: 121.14(4.54) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.051 CA :: 60.314 CB :: 62.848 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.206 HA :: 4.078 HB2 :: 3.801 HB3 :: 3.801 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 :: 123.471 Ave N Shift Values>> N :: 116.28(3.52) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.735 CA :: 45.189 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.945 HA2 :: 3.701 HA3 :: 4.153 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.873 Ave N Shift Values>> N :: 109.67(3.87) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.734 CA :: 58.777 CB :: 64.076 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.829 HA :: 4.405 HB2 :: 3.748 HB3 :: 4.002 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 :: 115.208 Ave N Shift Values>> N :: 116.28(3.52) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.26 K 0.22 R 0.1 E 0.05 M 0.01 C Shift Assignments>> C :: 175.146 CA :: 55.488 CB :: 27.858 CG :: 34.044 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 :: 8.852 HA :: 4.423 HB2 :: 1.970 HB3 :: 2.230 HG2 :: 2.362 HG3 :: 2.415 HE21 :: 7.463 HE22 :: 6.847 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 :: 125.570 NE2 :: 113.102 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 172.593 CA :: 60.955 CB :: 40.240 CG1 :: 28.635 CG2 :: 17.129 CD1 :: 14.700 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 :: 7.604 HA :: 4.344 HB :: 1.859 HG12 :: 1.602 HG13 :: 1.845 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.995 HD12 :: 0.995 HD13 :: 0.995 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 :: 122.094 Ave N Shift Values>> N :: 121.46(4.28) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.238 CA :: 63.014 CB :: 32.875 CG1 :: 21.425 CG2 :: 21.006 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 :: 7.317 HA :: 4.027 HB :: 2.176 HG11 :: 1.056 HG12 :: 1.056 HG13 :: 1.056 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 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 :: 121.529 Ave N Shift Values>> N :: 121.14(4.54) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.26 D 0.14 K 0.08 F 0.05 C 0.04 Y 0.03 G 0.03 N 0.01 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 174.301 CA :: 54.844 CB :: 43.084 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 :: 8.155 HA :: 4.696 HB2 :: 2.540 HB3 :: 2.725 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 :: 122.448 Ave N Shift Values>> N :: 120.65(3.86) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 174.483 CA :: 59.891 CB :: 40.177 CG1 :: 29.353 CG2 :: 16.136 CD1 :: 14.256 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 :: 8.086 HA :: 4.380 HB :: 1.765 HG12 :: 0.692 HG13 :: 1.785 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 HD11 :: 0.422 HD12 :: 0.422 HD13 :: 0.422 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 :: 122.479 Ave N Shift Values>> N :: 121.46(4.28) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 F 0.14 K 0.12 Y 0.11 C 0.06 N 0.06 R 0.01 I 0.01 C Shift Assignments>> C :: 177.930 CA :: 55.517 CB :: 41.016 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 :: 7.697 HA :: 4.383 HB2 :: 2.379 HB3 :: 2.500 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 :: 123.892 Ave N Shift Values>> N :: 120.65(3.86) 1.K46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.48 K 0.29 R 0.19 G 0.02 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 175.197 CA :: 56.776 CB :: 29.580 CG :: 24.595 CD :: 29.706 CE :: 42.522 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 :: 8.933 HA :: 3.954 HB2 :: 1.265 HB3 :: 1.325 HG2 :: 0.937 HG3 :: 1.312 HD2 :: -0.684(A) HD3 :: 1.077 HE2 :: 2.928 HE3 :: 2.928 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 :: 124.558 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.33 K 0.15 G 0.05 C Shift Assignments>> C :: 174.021 CA :: 52.254 CB :: 32.289 CG :: 26.819 CD :: 42.463 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 :: 6.991 HA :: 4.627 HB2 :: 0.061(S) HB3 :: 1.148 HG2 :: 0.945 HG3 :: 1.266 HD2 :: 2.731 HD3 :: 3.334 HE :: 7.212 HH21 :: 6.583 HH22 :: 6.583 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 :: 126.468 NE :: 86.156 NH2 :: 71.174 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.45 R 0.03 C Shift Assignments>> C :: 174.474 CA :: 55.704 CB :: 32.326 CG :: 24.360 CD :: 30.620 CE :: 41.443 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 :: 7.936 HA :: 4.247 HB2 :: 1.115 HB3 :: 1.602 HG2 :: 0.871 HG3 :: 1.523 HD2 :: 1.531 HD3 :: 1.531 HE2 :: 2.984 HE3 :: 2.984 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 :: 119.385 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.842 CA :: 59.787 CB :: 37.995 CD1 :: 133.361 CE1 :: 117.774 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 :: 8.540 HA :: 4.551 HB2 :: 2.513 HB3 :: 3.190 HD1 :: 7.057 HD2 :: 7.057 HE1 :: 6.854 HE2 :: 6.854 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 :: 123.668 Ave N Shift Values>> N :: 120.52(4.2) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.24 A 0.02 R 0.02 C Shift Assignments>> C :: 176.683 CA :: 52.843 CB :: 41.105 CG :: 27.314 CD1 :: 24.266 CD2 :: 26.291 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 :: 9.094 HA :: 4.870 HB2 :: 0.772 HB3 :: 1.726 HG :: 1.391 HD11 :: 0.450 HD12 :: 0.450 HD13 :: 0.450 HD21 :: 0.326 HD22 :: 0.326 HD23 :: 0.326 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 :: 125.090 Ave N Shift Values>> N :: 121.86(3.9) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 172.935 CA :: 59.499 CB :: 34.470 CG1 :: 22.694 CG2 :: 22.240 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 :: 8.753 HA :: 4.445 HB :: 1.744 HG11 :: 0.694 HG12 :: 0.694 HG13 :: 0.694 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 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 :: 129.242 Ave N Shift Values>> N :: 121.14(4.54) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.910 CA :: 64.284 CB :: 32.666 CG :: 28.542 CD :: 51.530 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 :: 4.460 HB2 :: 2.044 HB3 :: 2.636 HG2 :: 1.924 HG3 :: 2.250 HD2 :: 3.333 HD3 :: 4.236 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.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.850 CA :: 60.715 CB :: 63.410 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.319 HA :: 3.731 HB2 :: 3.602 HB3 :: 3.673 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 :: 117.796 Ave N Shift Values>> N :: 116.28(3.52) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.15 F 0.1 Y 0.07 C 0.06 K 0.05 C Shift Assignments>> C :: 177.087 CA :: 54.151 CB :: 40.759 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 :: 8.435 HA :: 4.607 HB2 :: 2.698 HB3 :: 2.782 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 :: 115.122 Ave N Shift Values>> N :: 120.65(3.86) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.707 CA :: 60.661 CB :: 38.974 CG1 :: 25.201 CG2 :: 17.218 CD1 :: 14.648 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 :: 6.906 HA :: 4.625 HB :: 1.996 HG12 :: 1.317 HG13 :: 1.527 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 113.900 Ave N Shift Values>> N :: 121.46(4.28) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 176.489 CA :: 60.657 CB :: 72.203 CG2 :: 22.005 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 :: 8.749 HA :: 5.036 HB :: 4.877 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 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 :: 112.164 Ave N Shift Values>> N :: 115.42(4.75) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 178.363 CA :: 66.731 CB :: 31.725 CG1 :: 21.739 CG2 :: 24.691 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 :: 8.712 HA :: 3.705 HB :: 2.283 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 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 :: 122.391 Ave N Shift Values>> N :: 121.14(4.54) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 180.404 CA :: 55.534 CB :: 18.450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.309 HA :: 4.157 HB1 :: 1.431 HB2 :: 1.431 HB3 :: 1.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.841 Ave N Shift Values>> N :: 123.23(3.54) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 K 0.1 Q 0.1 I 0.07 M 0.03 C Shift Assignments>> C :: 179.483 CA :: 59.143 CB :: 29.777 CG :: 35.507 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 :: 7.871 HA :: 4.149 HB2 :: 2.040 HB3 :: 2.572 HG2 :: 2.446 HG3 :: 2.483 HE21 :: 7.824 HE22 :: 7.002 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 :: 117.867 NE2 :: 113.065 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.25 Y 0.2 C Shift Assignments>> C :: 176.491 CA :: 59.916 CB :: 39.433 CD1 :: 131.566 CE1 :: 130.195 CZ :: 128.769 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 :: 8.967 HA :: 4.385 HB2 :: 3.118 HB3 :: 3.341 HD1 :: 7.010 HD2 :: 7.010 HE1 :: 6.890 HE2 :: 6.890 HZ :: 6.767 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 :: 122.590 Ave N Shift Values>> N :: 120.45(4.18) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.37 C Shift Assignments>> C :: 177.565 CA :: 60.084 CB :: 32.458 CG :: 32.041 CE :: 16.869 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 :: 8.818 HA :: 3.377 HB2 :: 2.044 HB3 :: 2.244 HG2 :: 1.977 HG3 :: 2.297 HE1 :: 1.892 HE2 :: 1.892 HE3 :: 1.892 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 :: 119.280 Ave N Shift Values>> N :: 120.09(3.57) 1.W62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> C :: 177.993 CA :: 60.926 CB :: 28.966 CD1 :: 127.438 CE3 :: 120.617 CZ2 :: 114.769 CZ3 :: 121.894 CH2 :: 124.672 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 :: 7.490 HA :: 4.124 HB2 :: 3.316 HB3 :: 3.454 HD1 :: 7.313 HE1 :: 10.120 HE3 :: 7.653 HZ2 :: 7.466 HZ3 :: 7.118 HH2 :: 7.202 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 :: 118.988 NE1 :: 128.686 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.741 CA :: 65.864 CB :: 37.686 CG1 :: 29.393 CG2 :: 16.040 CD1 :: 14.271 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 :: 7.762 HA :: 3.519 HB :: 2.098 HG12 :: 1.195 HG13 :: 1.987 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 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 :: 121.019 Ave N Shift Values>> N :: 121.46(4.28) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.964 CA :: 64.272 CB :: 35.948 CG1 :: 27.140 CG2 :: 16.468 CD1 :: 11.312 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 :: 7.785 HA :: 3.052 HB :: 1.386 HG12 :: 0.169 HG13 :: 0.453 HG21 :: -0.033 HG22 :: -0.033 HG23 :: -0.033 HD11 :: -0.054 HD12 :: -0.054 HD13 :: -0.054 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 :: 120.153 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>> C 0.57 R 0.23 K 0.13 G 0.05 C Shift Assignments>> C :: 178.188 CA :: 60.433 CB :: 30.180 CG :: 28.949 CD :: 42.942 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 :: 8.045 HA :: 3.338 HB2 :: 1.660 HB3 :: 1.729 HG2 :: 1.099 HG3 :: 1.551 HD2 :: 2.400 HD3 :: 2.630 HE :: 7.165 HH11 :: 6.666 HH12 :: 6.246 HH21 :: 6.476 HH22 :: 6.476 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 :: 117.392 NE :: 81.850 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.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 179.782 CA :: 58.849 CB :: 32.155 CG :: 25.006 CD :: 29.333 CE :: 42.019 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 :: 7.781 HA :: 3.952 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 1.272 HG3 :: 1.405 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 2.815 HE3 :: 2.895 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 :: 116.704 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.37 K 0.17 C Shift Assignments>> C :: 178.392 CA :: 57.903 CB :: 29.999 CG :: 27.608 CD :: 42.194 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 :: 8.046 HA :: 4.098 HB2 :: 1.827 HB3 :: 1.872 HG2 :: 1.617 HG3 :: 1.664 HD2 :: 3.023 HD3 :: 3.290 HE :: 8.224 HH11 :: 7.453 HH21 :: 7.206 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 :: 121.437 NE :: 84.842 NH2 :: 71.786 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.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 174.525 CA :: 61.141 CB :: 37.095 CG1 :: 25.006 CG2 :: 16.659 CD1 :: 14.196 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 :: 7.677 HA :: 4.402 HB :: 2.098 HG12 :: 1.066 HG13 :: 1.291 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 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 :: 109.720 Ave N Shift Values>> N :: 121.46(4.28) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.3 Q 0.17 R 0.08 E 0.02 I 0.01 C Shift Assignments>> C :: 175.384 CA :: 56.320 CB :: 26.007 CG :: 34.325 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 :: 7.583 HA :: 3.764 HB2 :: 2.099 HB3 :: 2.213 HG2 :: 2.222 HG3 :: 2.222 HE21 :: 7.620 HE22 :: 6.799 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 :: 118.211 NE2 :: 112.679 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.23 G 0.22 C 0.13 C Shift Assignments>> C :: 175.561 CA :: 52.917 CB :: 43.937 CG :: 26.850 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 :: 7.849 HA :: 4.563 HB2 :: 1.151 HB3 :: 1.549 HG :: 0.630 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 :: 122.390 Ave N Shift Values>> N :: 121.86(3.9) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 177.736 CA :: 63.549 CB :: 32.829 CG :: 27.822 CD :: 51.660 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 :: 4.450 HB2 :: 1.913 HB3 :: 2.510 HG2 :: 2.065 HG3 :: 2.065 HD2 :: 3.490 HD3 :: 4.290 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.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.941 CA :: 61.879 CB :: 63.011 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.673 HA :: 4.003 HB2 :: 3.930 HB3 :: 3.930 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 :: 117.542 Ave N Shift Values>> N :: 116.28(3.52) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.32 K 0.12 I 0.1 Q 0.07 C Shift Assignments>> C :: 176.546 CA :: 57.715 CB :: 28.720 CG :: 36.095 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 :: 9.087 HA :: 4.234 HB2 :: 2.056 HB3 :: 2.097 HG2 :: 2.213 HG3 :: 2.303 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 :: 117.886 Ave N Shift Values>> N :: 120.67(3.48) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.3 R 0.16 G 0.01 C Shift Assignments>> C :: 175.084 CA :: 54.656 CB :: 32.942 CG :: 25.365 CD :: 28.646 CE :: 42.240 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 :: 7.800 HA :: 4.529 HB2 :: 1.799 HB3 :: 2.013 HG2 :: 1.406 HG3 :: 1.482 HD2 :: 1.695 HD3 :: 1.736 HE2 :: 3.042 HE3 :: 3.042 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 :: 120.857 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.1 C 0.05 M 0.01 HN Overlap>> 2.I6 2.I6 C Shift Assignments>> C :: 175.419 CA :: 51.903 CB :: 21.152 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.336 HA :: 4.134 HB1 :: 1.279 HB2 :: 1.279 HB3 :: 1.279 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.911 Ave N Shift Values>> N :: 123.23(3.54) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 I 0.26 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 171.317 CA :: 59.639 CB :: 41.873 CG1 :: 29.024 CG2 :: 15.476 CD1 :: 14.232 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 :: 7.314 HA :: 4.703 HB :: 1.331 HG12 :: 0.878 HG13 :: 1.475 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 HD11 :: 0.427 HD12 :: 0.427 HD13 :: 0.427 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 :: 114.403 Ave N Shift Values>> N :: 121.46(4.28) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.27 C 0.14 G 0.03 C Shift Assignments>> C :: 173.621 CA :: 57.017 CB :: 42.801 CD1 :: 132.097 CE1 :: 130.963 CZ :: 129.403 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 :: 8.658 HA :: 4.313 HB2 :: 2.425 HB3 :: 2.548 HD1 :: 6.884 HD2 :: 6.884 HE1 :: 7.189 HE2 :: 7.189 HZ :: 7.230 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 :: 123.506 Ave N Shift Values>> N :: 120.45(4.18) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.37 C 0.15 A 0.03 R 0.03 C Shift Assignments>> C :: 174.723 CA :: 52.784 CB :: 44.408 CG :: 27.490 CD1 :: 23.522 CD2 :: 25.568 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 :: 7.950 HA :: 5.263 HB2 :: 1.293 HB3 :: 1.563 HG :: 1.560 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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 :: 120.149 Ave N Shift Values>> N :: 121.86(3.9) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.24 G 0.22 C 0.12 C Shift Assignments>> C :: 176.082 CA :: 56.621 CB :: 43.882 CD1 :: 132.156 CE1 :: 131.479 CZ :: 129.438 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 :: 9.101 HA :: 5.207 HB2 :: 2.776 HB3 :: 2.832 HD1 :: 6.845 HD2 :: 6.845 HE1 :: 7.260 HE2 :: 7.260 HZ :: 7.231 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 :: 113.867 Ave N Shift Values>> N :: 120.45(4.18) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.367 CA :: 61.625 CB :: 33.968 CG1 :: 21.785 CG2 :: 22.016 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 :: 9.227 HA :: 4.689 HB :: 2.037 HG11 :: 1.095 HG12 :: 1.095 HG13 :: 1.095 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 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 :: 122.084 Ave N Shift Values>> N :: 121.14(4.54) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.16 C 0.12 L 0.1 N 0.09 I 0.03 C Shift Assignments>> C :: 175.661 CA :: 56.255 CB :: 39.617 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 :: 9.755 HA :: 4.358 HB2 :: 2.579 HB3 :: 3.235 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 :: 130.523 Ave N Shift Values>> N :: 120.65(3.86) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.14 C Shift Assignments>> C :: 174.999 CA :: 57.947 CB :: 30.649 CG :: 25.010 CD :: 29.214 CE :: 42.046 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 :: 8.657 HA :: 3.397 HB2 :: 1.541 HB3 :: 1.831 HG2 :: 0.598 HG3 :: 1.073 HD2 :: 1.412 HD3 :: 1.412 HE2 :: 2.790 HE3 :: 2.790 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 :: 110.947 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.291 CA :: 61.180 CB :: 71.927 CG2 :: 21.334 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 :: 7.965 HA :: 4.839 HB :: 4.202 HG21 :: 1.254 HG22 :: 1.254 HG23 :: 1.254 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 :: 113.753 Ave N Shift Values>> N :: 115.42(4.75) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.23 K 0.11 W 0.08 M 0.06 R 0.06 Q 0.05 H 0.04 E 0.03 P 0.02 C Shift Assignments>> C :: 175.614 CA :: 60.152 CB :: 32.739 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 :: 8.848 HA :: 3.383 HB :: 2.085 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 :: 128.338 Ave N Shift Values>> N :: 121.14(4.54) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.43 C Shift Assignments>> C :: 175.896 CA :: 61.607 CB :: 32.388 CG :: 26.800 CD :: 50.722 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 :: 4.611 HB2 :: 1.905 HB3 :: 2.184 HG2 :: 1.725 HG3 :: 1.969 HD2 :: 3.885 HD3 :: 3.986 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.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.26 E 0.1 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 177.693 CA :: 56.954 CB :: 28.914 CG :: 34.108 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 :: 4.191 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.474 HG3 :: 2.573 HE21 :: 7.527 HE22 :: 6.946 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 :: 122.517 NE2 :: 112.366 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.226 CA :: 61.851 CB :: 63.839 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.492 HA :: 3.949 HB2 :: 3.992 HB3 :: 3.992 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 :: 120.271 Ave N Shift Values>> N :: 116.28(3.52) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.647 CA :: 57.861 CB :: 63.738 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.643 HA :: 4.460 HB2 :: 3.846 HB3 :: 4.147 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 :: 110.620 Ave N Shift Values>> N :: 116.28(3.52) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.28 R 0.17 G 0.06 A 0.01 C Shift Assignments>> C :: 177.300 CA :: 55.538 CB :: 43.239 CG :: 27.055 CD1 :: 23.484 CD2 :: 26.251 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 :: 4.364 HB2 :: 1.605 HB3 :: 1.812 HG :: 1.732 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.998 HD22 :: 0.998 HD23 :: 0.998 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 :: 123.523 Ave N Shift Values>> N :: 121.86(3.9) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 176.542 CA :: 60.795 CB :: 70.421 CG2 :: 21.983 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 :: 8.335 HA :: 4.816 HB :: 4.862 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 109.709 Ave N Shift Values>> N :: 115.42(4.75) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.21 A 0.19 C Shift Assignments>> C :: 179.728 CA :: 55.613 CB :: 27.916 CG :: 32.362 CE :: 16.954 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 :: 9.173 HA :: 4.444 HB2 :: 1.382 HB3 :: 2.058 HG2 :: 2.127 HG3 :: 2.274 HE1 :: 1.627 HE2 :: 1.627 HE3 :: 1.627 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 :: 120.075 Ave N Shift Values>> N :: 120.09(3.57) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 176.558 CA :: 47.290 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.540 HA2 :: 3.737 HA3 :: 3.984 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.366 Ave N Shift Values>> N :: 109.67(3.87) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.2 K 0.19 E 0.19 I 0.04 M 0.02 R 0.01 C Shift Assignments>> C :: 179.655 CA :: 58.772 CB :: 29.196 CG :: 34.765 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 :: 7.937 HA :: 4.132 HB2 :: 1.945 HB3 :: 2.451 HG2 :: 2.458 HG3 :: 2.458 HE21 :: 7.568 HE22 :: 6.824 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 :: 122.852 NE2 :: 111.274 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.42 R 0.07 C Shift Assignments>> C :: 177.829 CA :: 57.933 CB :: 42.076 CG :: 26.728 CD1 :: 24.007 CD2 :: 26.062 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 :: 8.684 HA :: 4.047 HB2 :: 1.422 HB3 :: 1.949 HG :: 1.555 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 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 :: 121.901 Ave N Shift Values>> N :: 121.86(3.9) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 175.965 CA :: 62.554 CB :: 39.461 CD1 :: 131.578 CE1 :: 118.469 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 :: 8.823 HA :: 3.805 HB2 :: 2.970 HB3 :: 3.203 HD1 :: 6.772 HD2 :: 6.772 HE1 :: 6.837 HE2 :: 6.837 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 :: 118.768 Ave N Shift Values>> N :: 120.52(4.2) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.11 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.002 CA :: 59.062 CB :: 29.392 CG :: 35.888 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 :: 7.839 HA :: 3.769 HB2 :: 2.086 HB3 :: 2.086 HG2 :: 2.405 HG3 :: 2.405 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 :: 115.540 Ave N Shift Values>> N :: 120.67(3.48) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 HN Overlap>> 1.I76 1.I76 C Shift Assignments>> C :: 178.777 CA :: 58.190 CB :: 34.841 CG :: 24.966 CD :: 29.064 CE :: 42.028 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 :: 7.347 HA :: 4.246 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 1.524 HG3 :: 1.577 HD2 :: 1.671 HD3 :: 1.724 HE2 :: 3.028 HE3 :: 3.028 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 :: 114.484 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.23 M 0.21 E 0.15 K 0.11 C Shift Assignments>> C :: 177.113 CA :: 55.161 CB :: 30.530 CG :: 34.514 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 :: 8.281 HA :: 4.826 HB2 :: 1.474 HB3 :: 2.301 HG2 :: 2.106 HG3 :: 2.243 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 :: 113.173 Ave N Shift Values>> N :: 120.67(3.48) 1.K99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 R 0.24 K 0.2 G 0.01 C Shift Assignments>> C :: 174.737 CA :: 57.367 CB :: 31.614 CG :: 22.494 CD :: 29.199 CE :: 42.436 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 :: 7.923 HA :: 3.888 HB2 :: 1.062 HB3 :: 1.163 HG2 :: 0.966 HG3 :: 1.091 HD2 :: 0.728(S) HD3 :: 1.117 HE2 :: 2.780 HE3 :: 2.780 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 :: 119.507 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.34 R 0.25 D 0.16 G 0.06 K 0.04 C 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.104 CA :: 54.026 CB :: 43.308 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 :: 8.777 HA :: 4.532 HB2 :: 2.941 HB3 :: 3.736(S) 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 :: 123.636 Ave N Shift Values>> N :: 120.65(3.86) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 K 0.12 I 0.11 Q 0.09 M 0.01 C Shift Assignments>> C :: 176.992 CA :: 59.026 CB :: 29.012 CG :: 35.669 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 :: 8.666 HA :: 4.156 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 2.145 HG3 :: 2.340 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 :: 125.873 Ave N Shift Values>> N :: 120.67(3.48) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.14 F 0.08 K 0.07 Y 0.06 C 0.05 C Shift Assignments>> C :: 177.527 CA :: 53.929 CB :: 40.992 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 :: 9.952 HA :: 5.005 HB2 :: 2.457 HB3 :: 3.186 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 :: 121.257 Ave N Shift Values>> N :: 120.65(3.86) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.742 CA :: 45.453 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.090 HA2 :: 3.384 HA3 :: 4.305 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.329 Ave N Shift Values>> N :: 109.67(3.87) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.35 C 0.27 C Shift Assignments>> C :: 174.137 CA :: 59.095 CB :: 39.612 CD1 :: 132.965 CE1 :: 130.537 CZ :: 127.200 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 :: 9.708 HA :: 4.629 HB2 :: 1.988 HB3 :: 3.416 HD1 :: 6.979 HD2 :: 6.979 HE1 :: 7.173 HE2 :: 7.173 HZ :: 6.796 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 :: 122.457 Ave N Shift Values>> N :: 120.45(4.18) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.21 C 0.15 A 0.01 C Shift Assignments>> C :: 173.220 CA :: 53.424 CB :: 45.512 CG :: 27.211 CD1 :: 23.950 CD2 :: 26.087 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 :: 8.154 HA :: 4.819 HB2 :: 1.369 HB3 :: 1.988 HG :: 1.449 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 120.598 Ave N Shift Values>> N :: 121.86(3.9) 1.Y106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 175.330 CA :: 57.971 CB :: 37.648 CD1 :: 132.577 CE1 :: 117.802 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 :: 8.783 HA :: 4.652 HB2 :: 1.025(S) HB3 :: 2.154 HD1 :: 6.340 HD2 :: 6.340 HE1 :: 6.767 HE2 :: 6.767 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 :: 127.644 Ave N Shift Values>> N :: 120.52(4.2) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 173.995 CA :: 61.038 CB :: 35.226 CG1 :: 21.676 CG2 :: 22.369 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 :: 9.535 HA :: 4.841 HB :: 2.148 HG11 :: 0.863 HG12 :: 0.863 HG13 :: 0.863 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 124.445 Ave N Shift Values>> N :: 121.14(4.54) 1.A108 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.49 L 0.2 C 0.16 G 0.11 C Shift Assignments>> C :: 177.493 CA :: 49.175 CB :: 22.673 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.242 HA :: 6.569(A) HB1 :: 1.671 HB2 :: 1.671 HB3 :: 1.671 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.667 Ave N Shift Values>> N :: 123.23(3.54) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.26 G 0.12 C Shift Assignments>> C :: 173.248 CA :: 55.717 CB :: 42.999 CD1 :: 132.080 CE1 :: 117.609 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 :: 7.846 HA :: 6.383 HB2 :: 2.690 HB3 :: 2.951 HD1 :: 6.706 HD2 :: 6.706 HE1 :: 6.556 HE2 :: 6.556 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 :: 114.175 Ave N Shift Values>> N :: 120.52(4.2) 1.S110 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 :: 173.385 CA :: 56.127 CB :: 65.680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.078 HA :: 4.687 HB2 :: 4.009 HB3 :: 4.133 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 :: 112.537 Ave N Shift Values>> N :: 116.28(3.52) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.298 CA :: 45.537 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.411 HA2 :: 3.812 HA3 :: 4.812 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.976 Ave N Shift Values>> N :: 109.67(3.87) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.34 E 0.2 Q 0.02 C Shift Assignments>> C :: 174.482 CA :: 55.028 CB :: 32.644 CG :: 35.967 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 :: 8.341 HA :: 4.563 HB2 :: 1.915 HB3 :: 1.986 HG2 :: 2.180 HG3 :: 2.157 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 :: 118.328 Ave N Shift Values>> N :: 120.67(3.48) 1.N113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.52 C 0.22 M 0.08 E 0.05 Y 0.03 F 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 175.702 CA :: 51.816 CB :: 36.479 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 :: 8.177 HA :: 3.963 HB2 :: 1.684(S) HB3 :: 2.188 HD21 :: 7.207 HD22 :: 6.612 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 :: 118.164 ND2 :: 108.826 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.586 CA :: 62.625 CB :: 70.038 CG2 :: 21.127 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 :: 7.684 HA :: 3.964 HB :: 3.527 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 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 :: 115.167 Ave N Shift Values>> N :: 115.42(4.75) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.31 C 0.22 C Shift Assignments>> C :: 174.813 CA :: 57.506 CB :: 39.322 CD1 :: 131.441 CE1 :: 131.088 CZ :: 129.514 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 :: 7.407 HA :: 4.321 HB2 :: 2.360 HB3 :: 3.013 HD1 :: 6.620 HD2 :: 6.620 HE1 :: 6.984 HE2 :: 6.984 HZ :: 7.055 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 :: 120.552 Ave N Shift Values>> N :: 120.45(4.18) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 178.752 CA :: 46.211 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.390 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.055 Ave N Shift Values>> N :: 109.67(3.87) 2.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.593 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.829 HA3 :: 3.829 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.86 M 0.09 C 0.02 C Shift Assignments>> C :: 177.823 CA :: 52.747 CB :: 19.387 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.348 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.35 A 0.13 HN Overlap>> 1.M1 1.M1 C Shift Assignments>> C :: 176.131 CA :: 55.516 CB :: 32.876 CG :: 32.031 CE :: 16.994 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 :: 8.471 HA :: 4.460 HB2 :: 2.023 HB3 :: 2.086 HG2 :: 2.559 HG3 :: 2.603 HE1 :: 2.110 HE2 :: 2.110 HE3 :: 2.110 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 :: 119.403 Ave N Shift Values>> N :: 120.09(3.57) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.11 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 175.991 CA :: 56.484 CB :: 30.351 CG :: 36.199 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 :: 8.371 HA :: 4.308 HB2 :: 1.932 HB3 :: 1.996 HG2 :: 2.235 HG3 :: 2.235 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 :: 122.632 Ave N Shift Values>> N :: 120.67(3.48) 2.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.779 CA :: 60.890 CB :: 38.562 CG1 :: 27.191 CG2 :: 17.287 CD1 :: 12.773 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 :: 8.219 HA :: 4.119 HB :: 1.798 HG12 :: 1.159 HG13 :: 1.447 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 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 :: 123.023 Ave N Shift Values>> N :: 121.46(4.28) 2.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.A75 1.A75 C Shift Assignments>> C :: 175.781 CA :: 60.599 CB :: 38.593 CG1 :: 27.182 CG2 :: 17.386 CD1 :: 12.784 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 :: 8.226 HA :: 4.165 HB :: 1.815 HG12 :: 1.164 HG13 :: 1.437 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 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 :: 125.923 Ave N Shift Values>> N :: 121.46(4.28) 2.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.35 C 0.26 C Shift Assignments>> C :: 174.868 CA :: 55.814 CB :: 30.616 CD2 :: 120.189 CE1 :: 137.761 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 :: 8.529 HA :: 4.688 HB2 :: 3.093 HB3 :: 3.144 HD2 :: 7.133 HE1 :: 8.126 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 :: 124.824 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.14 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 175.931 CA :: 56.331 CB :: 30.623 CG :: 36.254 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 :: 8.543 HA :: 4.306 HB2 :: 1.923 HB3 :: 2.055 HG2 :: 2.235 HG3 :: 2.235 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 :: 123.526 Ave N Shift Values>> N :: 120.67(3.48) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.11 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.975 CA :: 54.495 CB :: 41.157 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 :: 8.563 HA :: 4.591 HB2 :: 2.615 HB3 :: 2.717 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 :: 122.176 Ave N Shift Values>> N :: 120.65(3.86) 2.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.19 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> C :: 175.243 CA :: 52.980 CB :: 39.008 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 :: 8.435 HA :: 4.718 HB2 :: 2.679 HB3 :: 2.811 HD21 :: 6.946 HD22 :: 7.505 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 :: 118.537 ND2 :: 112.400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 I 0.06 M 0.06 K 0.05 Q 0.03 C Shift Assignments>> C :: 177.075 CA :: 58.138 CB :: 30.201 CG :: 36.404 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 :: 8.217 HA :: 4.053 HB2 :: 1.788 HB3 :: 1.954 HG2 :: 2.042 HG3 :: 2.042 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 :: 121.189 Ave N Shift Values>> N :: 120.67(3.48) 2.W12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.39 C Shift Assignments>> C :: 174.718 CA :: 57.761 CB :: 27.028 CD1 :: 128.307 CE3 :: 121.121 CZ2 :: 114.498 CZ3 :: 122.974 CH2 :: 125.688 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 :: 8.212 HA :: 4.149 HB2 :: 3.436 HB3 :: 3.701 HD1 :: 7.414 HE1 :: 11.629 HE3 :: 6.991 HZ2 :: 7.448 HZ3 :: 7.413 HH2 :: 7.688 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 :: 117.130 NE1 :: 131.499 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.799 CA :: 44.981 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.487 HA2 :: 3.739 HA3 :: 4.130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.435 Ave N Shift Values>> N :: 109.67(3.87) 2.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> C :: 176.568 CA :: 61.984 CB :: 39.131 CG1 :: 28.583 CG2 :: 17.917 CD1 :: 13.680 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 :: 8.448 HA :: 4.388 HB :: 1.744 HG12 :: 1.124 HG13 :: 1.765 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 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 :: 119.717 Ave N Shift Values>> N :: 121.46(4.28) 2.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.34 E 0.2 Q 0.03 C Shift Assignments>> C :: 174.709 CA :: 55.290 CB :: 32.743 CG :: 35.851 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 :: 8.513 HA :: 4.607 HB2 :: 1.585 HB3 :: 1.585 HG2 :: 2.043 HG3 :: 2.043 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 :: 127.957 Ave N Shift Values>> N :: 120.67(3.48) 2.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> C :: 176.387 CA :: 55.490 CB :: 40.634 CG :: 28.423 CD1 :: 24.549 CD2 :: 24.878 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 :: 9.015 HA :: 4.416 HB2 :: 1.310 HB3 :: 1.746 HG :: 1.383 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 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 :: 129.961 Ave N Shift Values>> N :: 121.86(3.9) 2.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.966 CA :: 61.456 CB :: 33.460 CG1 :: 21.995 CG2 :: 22.152 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 :: 7.536 HA :: 4.498 HB :: 2.225 HG11 :: 1.115 HG12 :: 1.115 HG13 :: 1.115 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 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 :: 121.345 Ave N Shift Values>> N :: 121.14(4.54) 2.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.833 CA :: 57.672 CB :: 65.257 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.585 HA :: 4.630 HB2 :: 3.912 HB3 :: 3.912 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 :: 118.537 Ave N Shift Values>> N :: 116.28(3.52) 2.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.35 I 0.07 M 0.06 K 0.01 C Shift Assignments>> C :: 180.959 CA :: 58.898 CB :: 30.923 CG :: 37.029 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 :: 8.560 HA :: 4.087 HB2 :: 1.952 HB3 :: 2.072 HG2 :: 2.228 HG3 :: 2.228 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 :: 126.637 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 10 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 135 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 134 #Suspicious: 1 C Shift Results: #Consistent: 611 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 989 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 3 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F5 HE1 = 5.841(S), Expected = 7.08, Std = 0.3100, ChiSquare = 6.4211e-05 1.F5 HE2 = 5.841(S), Expected = 7.08, Std = 0.3200, ChiSquare = 1.0800e-04 1.K6 HE2 = 1.600(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.7216e-12 1.K6 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K6 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.K6 SRO Rule Break>> HE2 > HG2 : 0.998788612961841 1.K6 SRO Rule Break>> HE2 > HG3 : 0.998688524590164 1.K6 SRO Rule Break>> HE2 > HD3 : 0.99894142554693 1.H9 HE1 = 6.348(S), Expected = 7.95, Std = 0.4800, ChiSquare = 8.4536e-04 1.S18 HB2 = 3.030(S), Expected = 3.88, Std = 0.2500, ChiSquare = 6.7386e-04 1.R28 HH12 = 10.246(A), Expected = 6.80, Std = 0.3300, ChiSquare = 1.5871e-25 1.I32 CD1 = 7.132(S), Expected = 13.43, Std = 1.6700, ChiSquare = 1.6243e-04 1.I32 HG12 = -0.215(S), Expected = 1.28, Std = 0.4000, ChiSquare = 1.8586e-04 1.I32 HD11 = -0.696(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.0868e-06 1.I32 HD12 = -0.696(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.0868e-06 1.I32 HD13 = -0.696(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.0868e-06 1.K46 HD2 = -0.684(A), Expected = 1.61, Std = 0.2200, ChiSquare = 1.8615e-25 1.R47 HB2 = 0.061(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.5165e-10 1.K99 HD2 = 0.728(S), Expected = 1.61, Std = 0.2200, ChiSquare = 6.0953e-05 1.D100 HB3 = 3.736(S), Expected = 2.66, Std = 0.2800, ChiSquare = 1.2161e-04 1.Y106 HB2 = 1.025(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.4949e-07 1.A108 HA = 6.569(A), Expected = 4.26, Std = 0.4400, ChiSquare = 1.5399e-07 1.N113 HB2 = 1.684(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.8095e-04