Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.9 M 0.03 C 0.02 L 0.02 C Shift Assignments>> CA :: 52.036 CB :: 20.245 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.035 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.3 K 0.24 C 0.24 M 0.09 E 0.08 R 0.01 C Shift Assignments>> C :: 174.671 CA :: 56.162 CB :: 29.699 CG :: 33.870 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.253 HB2 :: 1.962 HB3 :: 1.999 HG2 :: 2.348 HG3 :: 2.348 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) 1.V3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.050 CA :: 61.428 CB :: 32.128 CG1 :: 21.469 CG2 :: 21.822 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 :: 6.335 HA :: 4.254 HB :: 0.497(S) HG11 :: 0.500 HG12 :: 0.500 HG13 :: 0.500 HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 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 :: 122.421 Ave N Shift Values>> N :: 121.14(4.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.17 G 0.01 HN Overlap>> 1.V161 1.V161 C Shift Assignments>> C :: 173.933 CA :: 55.686 CB :: 35.557 CG :: 25.040 CD :: 29.382 CE :: 42.247 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 :: 8.454 HA :: 4.443 HB2 :: 1.595 HB3 :: 1.713 HG2 :: 1.285 HG3 :: 1.378 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.111 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 K 0.04 L 0.04 G 0.01 C Shift Assignments>> C :: 175.146 CA :: 55.219 CB :: 42.188 CG :: 29.652 CD1 :: 26.476 CD2 :: 26.681 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 :: 8.774 HA :: 4.914 HB2 :: 1.384 HB3 :: 1.550 HG :: 1.650 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 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 :: 128.081 Ave N Shift Values>> N :: 121.86(3.9) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.25 Q 0.24 E 0.06 K 0.04 HN Overlap>> 1.T26 1.T26 C Shift Assignments>> C :: 176.213 CA :: 54.506 CB :: 31.294 CG :: 34.010 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 :: 8.990 HA :: 4.913 HB2 :: 2.134 HB3 :: 2.134 HG2 :: 2.295 HG3 :: 2.374 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 :: 122.549 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.15 C 0.14 R 0.13 H 0.13 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 176.201 CA :: 55.771 CB :: 31.964 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 :: 10.030 HA :: 5.606 HB2 :: 1.891 HB3 :: 2.469 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 :: 128.443 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.593 CA :: 57.690 CB :: 65.759 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.808 HA :: 4.872 HB2 :: 3.893 HB3 :: 3.893 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.194 Ave N Shift Values>> N :: 116.28(3.52) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.906 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.091 HA2 :: 4.144 HA3 :: 4.510 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.290 Ave N Shift Values>> N :: 109.67(3.87) 1.P10 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 :: 174.091 CA :: 62.850 CB :: 32.775 CG :: 26.730 CD :: 49.516 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 :: 4.572 HB2 :: 1.879 HB3 :: 2.274 HG2 :: 1.838 HG3 :: 2.119 HD2 :: 3.513 HD3 :: 3.630 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.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.188(D) CA :: 58.440 CB :: 64.945 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.000 HA :: 4.862 HB2 :: 3.933 HB3 :: 3.967 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.503 Ave N Shift Values>> N :: 116.28(3.52) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.45 L 0.41 C 0.12 C Shift Assignments>> C :: 175.706(D) CA :: 54.319(D) CB :: 44.876(D) CD1 :: 24.209 CD2 :: 24.434 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 :: 7.522(D) HA :: 5.422(D) HB2 :: 1.504(D) HB3 :: 1.590(D) HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 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 :: 124.201(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 173.112(D) CA :: 60.031(D) CB :: 35.676(D) CG1 :: 21.895(D) CG2 :: 22.521 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 :: 8.304(D) HA :: 4.352(D) HB :: 1.732(D) HG11 :: 0.706(D) HG12 :: 0.706(D) HG13 :: 0.706(D) HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 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 :: 122.508(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K14 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.069(D) 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 :: 124.374(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.35 C 0.12 W 0.02 I 0.02 C Shift Assignments>> C :: 177.320(D) CA :: 63.605 CB :: 31.636 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.954 HB2 :: 1.911 HB3 :: 2.262 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.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.23 I 0.23 V 0.21 P 0.09 C 0.07 F 0.03 Y 0.03 S 0.03 W 0.02 C Shift Assignments>> C :: 174.142 CA :: 61.925 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.529(D) HA :: 3.949 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.842(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.33 E 0.27 C Shift Assignments>> C :: 173.605(D) CA :: 55.599 CB :: 29.003 CG :: 34.952 CD :: 180.533 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 :: 7.671 HA :: 4.486 HB2 :: 2.155 HB3 :: 2.192 HG2 :: 2.326 HG3 :: 2.326 HE21 :: 6.874 HE22 :: 7.454 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.446 NE2 :: 112.694 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.905 CA :: 62.409 CB :: 70.525 CG2 :: 21.931 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 :: 8.094(D) HA :: 4.776 HB :: 3.883 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.780(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.34 C 0.15 HN Overlap>> 1.V116 1.V116 C Shift Assignments>> C :: 173.776 CA :: 53.875 CB :: 45.170 CG :: 27.387 CD1 :: 25.029 CD2 :: 24.545 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 :: 8.825 HA :: 4.327 HB2 :: 1.083 HB3 :: 1.697 HG :: 1.023 HD11 :: 0.130 HD12 :: 0.130 HD13 :: 0.130 HD21 :: 0.576 HD22 :: 0.576 HD23 :: 0.576 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 :: 130.128 Ave N Shift Values>> N :: 121.86(3.9) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.603 CA :: 56.616 CB :: 64.155 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.922 HA :: 5.454 HB2 :: 3.483 HB3 :: 3.706 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 :: 122.078 Ave N Shift Values>> N :: 116.28(3.52) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.31 L 0.16 A 0.01 C Shift Assignments>> C :: 176.472 CA :: 53.455 CB :: 46.528 CG :: 26.865 CD1 :: 27.181 CD2 :: 24.648 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 :: 8.783 HA :: 4.996 HB2 :: 0.962 HB3 :: 1.639 HG :: 1.040 HD11 :: 0.316 HD12 :: 0.316 HD13 :: 0.316 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 124.684 Ave N Shift Values>> N :: 121.86(3.9) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.581 CA :: 62.843 CB :: 71.586 CG2 :: 22.105 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 :: 8.554 HA :: 4.861 HB :: 4.140 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 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 :: 116.445 Ave N Shift Values>> N :: 115.42(4.75) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 F 0.08 K 0.07 D 0.07 C 0.05 Y 0.05 G 0.04 C Shift Assignments>> C :: 173.026 CA :: 56.565 CB :: 43.340 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.056 HA :: 4.775 HB2 :: 2.052 HB3 :: 2.275 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 :: 127.787 Ave N Shift Values>> N :: 120.17(4.64) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.618 CA :: 58.352 CB :: 63.607 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.090 HA :: 4.753 HB2 :: 3.872 HB3 :: 4.018 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 :: 123.735 Ave N Shift Values>> N :: 116.28(3.52) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.459 CA :: 62.754 CB :: 32.986 CG1 :: 20.835 CG2 :: 21.358 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 :: 8.102 HA :: 4.708 HB :: 1.654 HG11 :: 0.368 HG12 :: 0.368 HG13 :: 0.368 HG21 :: 0.462 HG22 :: 0.462 HG23 :: 0.462 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 :: 128.317 Ave N Shift Values>> N :: 121.14(4.54) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> CA :: 61.300 CB :: 71.572 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 :: 9.030 HA :: 4.747 HB :: 4.116 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.571 Ave N Shift Values>> N :: 115.42(4.75) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.419 CA :: 45.495 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.521 HA3 :: 4.487 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.24 R 0.11 D 0.1 C 0.04 F 0.01 C Shift Assignments>> C :: 174.605 CA :: 52.024 CB :: 43.992 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 :: 7.471 HA :: 4.692 HB2 :: 2.375 HB3 :: 2.686 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 :: 115.281 Ave N Shift Values>> N :: 120.65(3.86) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.786 CA :: 56.333 CB :: 65.108 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.382 HA :: 4.865 HB2 :: 3.754 HB3 :: 3.754 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 :: 115.422 Ave N Shift Values>> N :: 116.28(3.52) 1.I30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 175.693 CA :: 62.218 CB :: 36.443 CG1 :: 25.657 CG2 :: 16.418 CD1 :: 15.913 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 :: 8.470 HA :: 4.138 HB :: 1.232 HG12 :: 0.864 HG13 :: 1.108 HG21 :: -0.286(S) HG22 :: -0.286(S) HG23 :: -0.286(S) HD11 :: 0.329 HD12 :: 0.329 HD13 :: 0.329 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 :: 119.519 Ave N Shift Values>> N :: 121.46(4.28) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 172.447 CA :: 62.099 CB :: 67.977 CG2 :: 22.076 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 :: 7.662 HA :: 4.502 HB :: 4.752 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 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 :: 109.031 Ave N Shift Values>> N :: 115.42(4.75) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S125 1.S125 C Shift Assignments>> C :: 174.518 CA :: 57.143 CB :: 65.464 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.919 HA :: 4.722 HB2 :: 3.854 HB3 :: 4.027 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 :: 117.111 Ave N Shift Values>> N :: 116.28(3.52) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 170.834 CA :: 46.315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.635 HA2 :: 3.719 HA3 :: 4.078 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.323 Ave N Shift Values>> N :: 109.67(3.87) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 F 0.13 C 0.13 Y 0.1 C Shift Assignments>> C :: 172.899 CA :: 57.695 CB :: 44.653 CD1 :: 132.477 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 :: 7.893 HA :: 4.812 HB2 :: 2.316 HB3 :: 2.316 HD1 :: 6.706 HD2 :: 6.706 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 :: 118.053 Ave N Shift Values>> N :: 120.52(4.2) 1.W35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.47 C 0.44 H 0.07 C Shift Assignments>> C :: 175.841 CA :: 57.351 CB :: 30.878 CD1 :: 125.873 CZ2 :: 114.174 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 :: 7.722 HA :: 4.551 HB2 :: 1.968(S) HB3 :: 2.693 HD1 :: 6.536 HE1 :: 9.684 HZ2 :: 7.237 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 :: 117.787 NE1 :: 128.752 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.1 D 0.08 C 0.04 F 0.01 C Shift Assignments>> C :: 177.220 CA :: 52.378 CB :: 44.168 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 :: 8.777 HA :: 6.262(S) HB2 :: 2.898 HB3 :: 3.632 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.648 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 W 0.08 Y 0.01 H 0.01 C Shift Assignments>> C :: 175.117 CA :: 57.557 CB :: 35.009 CD1 :: 124.266 CZ2 :: 114.912 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.513 HA :: 5.707 HB2 :: 2.807 HB3 :: 3.262 HD1 :: 7.054 HE1 :: 7.846(S) HZ2 :: 6.808 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 :: 114.783 NE1 :: 125.886 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.38 C Shift Assignments>> C :: 173.866 CA :: 61.349 CB :: 45.434(S) CG1 :: 30.048 CG2 :: 18.839 CD1 :: 15.230 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.746 HA :: 4.494 HB :: 1.607 HG12 :: 1.037 HG13 :: 1.718 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 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 :: 123.138 Ave N Shift Values>> N :: 121.46(4.28) 1.R39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.27 C 0.21 Q 0.18 K 0.13 H 0.06 R 0.05 W 0.03 E 0.01 C Shift Assignments>> C :: 172.001 CA :: 52.966 CB :: 33.538 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 :: 9.197 HA :: 5.631 HB2 :: 0.440(S) HB3 :: 0.789(S) 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 :: 121.573 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.K40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.23 N 0.22 E 0.18 M 0.15 Y 0.06 K 0.04 F 0.03 Q 0.02 D 0.01 C Shift Assignments>> C :: 176.069 CA :: 53.970 CB :: 36.223 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 :: 9.168 HA :: 4.574 HB2 :: 0.899(S) HB3 :: 1.455 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.642 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.18 I 0.13 E 0.03 D 0.02 L 0.02 N 0.01 C Shift Assignments>> CA :: 58.157 CB :: 38.639 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 :: 8.871 HA :: 4.655 HB2 :: 2.744 HB3 :: 3.435 HD1 :: 7.364 HD2 :: 7.364 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 :: 129.524 Ave N Shift Values>> N :: 120.45(4.18) 1.P42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.276 CA :: 45.704 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.769 HA3 :: 4.246 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.3 D 0.14 E 0.02 C Shift Assignments>> C :: 173.538 CA :: 54.565 CB :: 37.453 CG :: 178.050 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 :: 8.287 HA :: 4.309 HB2 :: 3.216 HB3 :: 3.216 HD21 :: 6.844 HD22 :: 7.704 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.793 ND2 :: 113.537 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.2 G 0.01 C Shift Assignments>> C :: 175.523 CA :: 55.950 CB :: 34.654 CG :: 25.283 CD :: 29.297 CE :: 42.490 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 :: 7.315 HA :: 4.848 HB2 :: 1.925 HB3 :: 2.034 HG2 :: 1.514 HG3 :: 1.626 HD2 :: 1.833 HD3 :: 1.833 HE2 :: 3.118 HE3 :: 3.118 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.143 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.18 K 0.18 F 0.13 Y 0.09 C 0.07 D 0.05 I 0.01 G 0.01 C Shift Assignments>> C :: 176.628 CA :: 57.752 CB :: 42.680 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 :: 9.067 HA :: 5.068 HB2 :: 2.080 HB3 :: 2.419 HD1 :: 6.466 HD2 :: 6.466 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 :: 122.133 Ave N Shift Values>> N :: 120.45(4.18) 1.E47 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 C Shift Assignments>> C :: 174.148 CA :: 55.702 CB :: 35.505 CG :: 37.175 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 :: 9.630 HA :: 4.779 HB2 :: 1.936 HB3 :: 2.024 HG2 :: 2.029 HG3 :: 2.248 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 :: 122.382 Ave N Shift Values>> N :: 120.67(3.48) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 I 0.24 Y 0.21 C 0.14 K 0.07 L 0.02 C Shift Assignments>> C :: 174.983 CA :: 60.797 CB :: 41.141 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 :: 9.903 HA :: 4.290 HB2 :: 3.217 HB3 :: 3.478 HD1 :: 7.275 HD2 :: 7.275 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 :: 131.583 Ave N Shift Values>> N :: 120.52(4.2) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.38 R 0.16 C Shift Assignments>> C :: 175.653 CA :: 56.751 CB :: 42.018 CG :: 26.777 CD1 :: 23.909 CD2 :: 27.184 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 :: 7.986 HA :: 4.780 HB2 :: 1.248 HB3 :: 1.990 HG :: 1.760 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 126.869 Ave N Shift Values>> N :: 121.86(3.9) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 170.552 CA :: 47.630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.276 HA2 :: 4.251 HA3 :: 4.815 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.128 Ave N Shift Values>> N :: 109.67(3.87) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.2 Y 0.19 L 0.13 C 0.1 N 0.08 I 0.02 K 0.01 C Shift Assignments>> C :: 173.160 CA :: 56.071 CB :: 40.002 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 :: 9.204 HA :: 6.032 HB2 :: 3.264 HB3 :: 3.997 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 :: 112.477 Ave N Shift Values>> N :: 120.52(4.2) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.07 G 0.06 C Shift Assignments>> C :: 174.598 CA :: 59.255 CB :: 42.819 CG1 :: 28.745 CG2 :: 14.596 CD1 :: 14.042 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.647 HA :: 5.376 HB :: 1.646 HG12 :: 1.249 HG13 :: 1.475 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 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 :: 117.456 Ave N Shift Values>> N :: 121.46(4.28) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T217 1.T217 1.Q180 1.Q180 C Shift Assignments>> C :: 177.255 CA :: 57.588 CB :: 61.661 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.146 HA :: 4.448 HB2 :: 3.775 HB3 :: 3.939 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 :: 122.279 Ave N Shift Values>> N :: 116.28(3.52) 1.Y54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.810 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 :: 120.891 Ave N Shift Values>> N :: 120.52(4.2) 1.S55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.329 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.067 CA :: 44.526 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.177 HA2 :: 3.202 HA3 :: 4.313 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.281 Ave N Shift Values>> N :: 109.67(3.87) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 K 0.06 G 0.05 C Shift Assignments>> C :: 175.981 CA :: 56.463 CB :: 30.617 CG :: 27.162 CD :: 43.213 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 :: 7.237 HA :: 4.353 HB2 :: 1.553 HB3 :: 1.702 HG2 :: 1.480 HG3 :: 1.602 HD2 :: 3.009 HD3 :: 3.144 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.972 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.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 T 0.37 C Shift Assignments>> C :: 174.015 CA :: 59.164 CB :: 72.877 CG2 :: 22.227 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 :: 8.105 HA :: 5.305 HB :: 3.632 HG21 :: 1.383 HG22 :: 1.383 HG23 :: 1.383 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 :: 112.928 Ave N Shift Values>> N :: 115.42(4.75) 1.Y59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.14 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 172.669 CA :: 57.009 CB :: 40.544 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 :: 7.910 HA :: 4.164 HB2 :: 0.881(S) HB3 :: 2.341 HD1 :: 6.835 HD2 :: 6.835 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 :: 121.576 Ave N Shift Values>> N :: 120.52(4.2) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.18 F 0.05 C 0.05 K 0.05 Y 0.03 C Shift Assignments>> C :: 173.655 CA :: 52.374 CB :: 41.102 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 :: 7.110 HA :: 5.121 HB2 :: 2.396 HB3 :: 2.776 HD1 :: 6.976 HD2 :: 6.976 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 :: 123.350 Ave N Shift Values>> N :: 120.52(4.2) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.13 C 0.08 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> CA :: 51.508 CB :: 38.649 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 :: 8.281 HA :: 4.510 HB2 :: 3.043 HB3 :: 3.043 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.413 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.551 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) 1.S63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.527 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.385 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.018 Ave N Shift Values>> N :: 116.28(3.52) 1.L64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.755 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 :: 7.654 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 :: 121.070 Ave N Shift Values>> N :: 121.86(3.9) 1.K65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.459 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 :: 117.332 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.152 CA :: 59.436 CB :: 62.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.459 HB2 :: 3.977 HB3 :: 4.018 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.11 W 0.09 E 0.07 Q 0.06 V 0.02 C Shift Assignments>> C :: 174.615 CA :: 56.609 CB :: 32.142 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 :: 7.973 HA :: 4.504 HB2 :: 1.780 HB3 :: 1.865 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 :: 117.542 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>> C 0.78 I 0.19 A 0.01 C Shift Assignments>> C :: 172.817 CA :: 58.065 CB :: 41.743 CG1 :: 28.177 CG2 :: 15.926 CD1 :: 15.711 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 :: 6.903 HA :: 5.241 HB :: 1.260 HG12 :: 0.573 HG13 :: 1.216 HG21 :: 0.331 HG22 :: 0.331 HG23 :: 0.331 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 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 :: 115.366 Ave N Shift Values>> N :: 121.46(4.28) 1.S69 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 :: 173.635 CA :: 57.127 CB :: 65.582 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.325 HA :: 4.487 HB2 :: 3.590 HB3 :: 3.624 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.443 Ave N Shift Values>> N :: 116.28(3.52) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 HN Overlap>> 1.A155 1.A155 C Shift Assignments>> C :: 174.676 CA :: 60.666 CB :: 41.009 CG1 :: 28.136 CG2 :: 18.595 CD1 :: 13.479 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 :: 8.611 HA :: 5.403 HB :: 1.956 HG12 :: 1.325 HG13 :: 1.849 HG21 :: 1.468 HG22 :: 1.468 HG23 :: 1.468 HD11 :: 1.136 HD12 :: 1.136 HD13 :: 1.136 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 :: 125.676 Ave N Shift Values>> N :: 121.46(4.28) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 T 0.3 HN Overlap>> 1.T130 1.T130 C Shift Assignments>> C :: 173.380 CA :: 59.377 CB :: 72.995 CG2 :: 22.586 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 :: 8.061 HA :: 4.834 HB :: 4.554 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 115.507 Ave N Shift Values>> N :: 115.42(4.75) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.22 C 0.18 K 0.16 E 0.04 H 0.04 R 0.03 W 0.02 C Shift Assignments>> C :: 173.656 CA :: 55.192 CB :: 34.165 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 :: 9.086 HA :: 5.288 HB2 :: 1.736 HB3 :: 1.736 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 :: 114.118 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.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.23 D 0.17 G 0.09 C 0.04 K 0.03 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> CA :: 53.489 CB :: 43.374 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 :: 8.709 HA :: 5.151 HB2 :: 2.797 HB3 :: 3.066 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.959 Ave N Shift Values>> N :: 120.65(3.86) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.720 CA :: 64.976 CB :: 67.643 CG2 :: 21.817 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>> HA :: 3.933 HB :: 4.315 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 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) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.742 CA :: 61.344 CB :: 62.987 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.570 HA :: 4.426 HB2 :: 4.032 HB3 :: 4.032 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 :: 120.734 Ave N Shift Values>> N :: 116.28(3.52) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.22 C Shift Assignments>> C :: 175.852 CA :: 55.935 CB :: 34.237 CG :: 25.693 CD :: 29.398 CE :: 42.149 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 :: 7.417 HA :: 4.375 HB2 :: 1.257 HB3 :: 1.882 HG2 :: 1.275 HG3 :: 1.421 HD2 :: 1.506 HD3 :: 1.616 HE2 :: 2.959 HE3 :: 2.959 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 :: 119.093 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.38 C 0.11 C Shift Assignments>> C :: 172.200 CA :: 53.934 CB :: 39.616 CG :: 177.624 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 :: 8.044 HA :: 4.075 HB2 :: 2.439 HB3 :: 3.696 HD21 :: 7.573 HD22 :: 7.659 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.050 ND2 :: 115.075 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.36 Q 0.07 C Shift Assignments>> C :: 173.584 CA :: 53.045 CB :: 33.123 CG :: 33.245 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 :: 7.339 HA :: 5.257 HB2 :: 1.516 HB3 :: 1.679 HG2 :: 2.287 HG3 :: 2.287 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 :: 112.707 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.15 L 0.13 C 0.11 N 0.04 I 0.03 K 0.03 C Shift Assignments>> C :: 172.767 CA :: 56.712 CB :: 40.196 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 :: 8.654 HA :: 4.757 HB2 :: 2.719 HB3 :: 3.395 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 :: 117.139 Ave N Shift Values>> N :: 120.52(4.2) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.18 F 0.17 Y 0.13 D 0.11 C 0.07 R 0.05 I 0.02 C Shift Assignments>> C :: 174.874 CA :: 57.121 CB :: 41.612 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 :: 8.971 HA :: 5.716 HB2 :: 2.823 HB3 :: 3.100 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 :: 117.267 Ave N Shift Values>> N :: 120.52(4.2) 1.L81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.61 C 0.17 R 0.12 G 0.06 A 0.02 C Shift Assignments>> C :: 174.521 CA :: 53.047 CB :: 42.909 CG :: 26.918 CD1 :: 26.768 CD2 :: 23.907 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 :: 8.107 HA :: 4.613 HB2 :: -1.131(S) HB3 :: 0.046(S) HG :: 0.758 HD11 :: 0.174 HD12 :: 0.174 HD13 :: 0.174 HD21 :: 0.448 HD22 :: 0.448 HD23 :: 0.448 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 :: 122.684 Ave N Shift Values>> N :: 121.86(3.9) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.33 E 0.21 C Shift Assignments>> C :: 174.161 CA :: 54.371 CB :: 31.761 CG :: 34.814 CD :: 180.370 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 :: 8.630 HA :: 5.281 HB2 :: 1.707 HB3 :: 1.841 HG2 :: 2.009 HG3 :: 2.046 HE21 :: 6.582 HE22 :: 7.373 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 :: 124.940 NE2 :: 111.599 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.21 C 0.13 C Shift Assignments>> C :: 174.563 CA :: 53.108 CB :: 45.344 CG :: 27.477 CD1 :: 25.038 CD2 :: 25.913 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 :: 8.802 HA :: 4.963 HB2 :: 0.911 HB3 :: 1.550 HG :: 1.347 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 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 :: 126.249 Ave N Shift Values>> N :: 121.86(3.9) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.24 C 0.11 C Shift Assignments>> C :: 174.014 CA :: 52.989 CB :: 40.556 CG :: 175.834 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 :: 8.713 HA :: 4.724 HB2 :: 2.647 HB3 :: 2.720 HD21 :: 6.724 HD22 :: 7.253 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.610 ND2 :: 111.939 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.639(D) CA :: 57.433 CB :: 61.770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.491 HA :: 3.565 HB2 :: 3.640 HB3 :: 3.915 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.162 Ave N Shift Values>> N :: 116.28(3.52) 1.V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 176.937 CA :: 62.465 CB :: 33.058 CG1 :: 20.172 CG2 :: 20.248 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 :: 7.909(D) HA :: 4.167 HB :: 2.258 HG11 :: 0.782 HG12 :: 0.782 HG13 :: 0.782 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 112.295(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 T 0.46 C Shift Assignments>> C :: 176.065(D) CA :: 59.548 CB :: 73.109 CG2 :: 21.183 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.182(D) HA :: 4.856 HB :: 4.608 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 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 :: 112.908(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 HN Overlap>> 1.E224 1.E224 C Shift Assignments>> C :: 176.448(D) CA :: 65.748 CB :: 68.565 CG2 :: 21.891 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 :: 8.671(D) HA :: 4.086 HB :: 4.325 HG21 :: 1.358 HG22 :: 1.358 HG23 :: 1.358 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 :: 113.523(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 E 0.34 I 0.19 K 0.04 C Shift Assignments>> C :: 176.541 CA :: 58.420 CB :: 29.152 CG :: 37.092 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 :: 8.036(D) HA :: 4.252 HB2 :: 1.784 HB3 :: 2.153 HG2 :: 2.280 HG3 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.783(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.15 F 0.1 Y 0.08 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.149 CA :: 54.945 CB :: 41.370 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 :: 8.325 HA :: 4.930 HB2 :: 2.701 HB3 :: 2.929 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 :: 115.488 Ave N Shift Values>> N :: 120.65(3.86) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 173.563 CA :: 64.830 CB :: 70.153 CG2 :: 21.888 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 :: 7.613 HA :: 4.469 HB :: 4.413 HG21 :: 1.503 HG22 :: 1.503 HG23 :: 1.503 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 :: 121.875 Ave N Shift Values>> N :: 115.42(4.75) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.03 C 0.03 M 0.03 C Shift Assignments>> C :: 175.350 CA :: 52.220 CB :: 20.433 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.619 HA :: 4.416 HB1 :: 0.692 HB2 :: 0.692 HB3 :: 0.692 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.792 Ave N Shift Values>> N :: 123.23(3.54) 1.T93 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 :: 173.259 CA :: 62.802 CB :: 69.186 CG2 :: 20.648 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 :: 8.461 HA :: 4.881 HB :: 3.699 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 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 :: 115.180 Ave N Shift Values>> N :: 115.42(4.75) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.19 L 0.14 Y 0.14 C 0.08 R 0.07 D 0.06 I 0.03 C Shift Assignments>> C :: 175.549 CA :: 57.969 CB :: 41.813 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 :: 9.081 HA :: 4.486 HB2 :: 2.524 HB3 :: 2.915 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 :: 127.104 Ave N Shift Values>> N :: 120.52(4.2) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.2 L 0.16 F 0.15 Y 0.1 C 0.07 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 175.274 CA :: 58.102 CB :: 42.496 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 :: 10.268 HA :: 5.635 HB2 :: 2.854 HB3 :: 3.258 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 :: 122.836 Ave N Shift Values>> N :: 120.52(4.2) 1.C96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 D 0.21 R 0.2 K 0.05 G 0.05 C 0.04 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 172.672 CA :: 53.240 CB :: 43.054 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.422 HA :: 5.223 HB2 :: 1.268(S) HB3 :: 3.235 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 :: 116.950 Ave N Shift Values>> N :: 120.17(4.64) 1.S97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S174 1.S174 C Shift Assignments>> C :: 169.620 CA :: 59.418 CB :: 64.610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.751 HA :: 4.661 HB2 :: 2.853(S) HB3 :: 3.036 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 :: 117.289 Ave N Shift Values>> N :: 116.28(3.52) 1.R98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.295 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 :: 119.479 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.P99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.416 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) 1.Y100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 178.728 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 :: 8.584 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 :: 126.015 Ave N Shift Values>> N :: 120.52(4.2) 1.Y101 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.27 C 0.27 Y 0.17 E 0.11 F 0.11 V 0.01 M 0.01 C Shift Assignments>> C :: 176.157 CA :: 60.234 CB :: 37.046 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 :: 8.861 HA :: 2.325(S) HB2 :: 2.627 HB3 :: 2.828 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 :: 131.826 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.R102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.13 L 0.06 G 0.02 C Shift Assignments>> C :: 175.390 CA :: 56.907 CB :: 29.074 CG :: 27.064 CD :: 42.776 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 :: 4.114(S) HA :: 3.227 HB2 :: 0.085(S) HB3 :: 0.726(S) HG2 :: 0.646(S) HG3 :: 0.646 HD2 :: 2.807 HD3 :: 2.807 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 :: 118.469 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.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.12 D 0.07 Y 0.04 F 0.04 M 0.02 E 0.01 L 0.01 C Shift Assignments>> C :: 174.309 CA :: 52.272 CB :: 37.761 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 :: 6.409 HA :: 4.783 HB2 :: 2.199 HB3 :: 2.940 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 :: 117.794 Ave N Shift Values>> N :: 120.52(4.2) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.24 C 0.19 I 0.08 D 0.05 N 0.04 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 174.350 CA :: 57.234 CB :: 38.503 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 :: 7.266 HA :: 3.884 HB2 :: 2.443 HB3 :: 2.443 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.453 Ave N Shift Values>> N :: 120.65(3.86) 1.Y105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.4 C 0.3 P 0.07 K 0.05 Q 0.03 W 0.03 M 0.02 I 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 175.056 CA :: 61.493 CB :: 33.616 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 :: 7.123 HA :: 2.940 HB2 :: 2.181 HB3 :: 2.181 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 :: 102.386(S) Ave N Shift Values>> N :: 120.52(4.2) 1.A106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.63 M 0.33 C 0.01 C Shift Assignments>> C :: 175.461 CA :: 53.740 CB :: 18.134 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.619 HA :: 3.598 HB1 :: 0.487(S) HB2 :: 0.487(S) HB3 :: 0.487(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.730 Ave N Shift Values>> N :: 123.23(3.54) 1.I107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.558 CA :: 61.076 CB :: 38.310 CG1 :: 28.412 CG2 :: 18.389 CD1 :: 14.804 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 :: 8.006 HA :: 4.340 HB :: 1.617 HG12 :: 0.093 HG13 :: 1.573 HG21 :: -0.357(S) HG22 :: -0.357(S) HG23 :: -0.357(S) HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 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 :: 121.450 Ave N Shift Values>> N :: 121.46(4.28) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.13 F 0.12 Y 0.1 C 0.07 K 0.05 C Shift Assignments>> C :: 177.011 CA :: 54.718 CB :: 40.587 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 :: 8.811 HA :: 4.498 HB2 :: 2.211 HB3 :: 2.339 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.813 Ave N Shift Values>> N :: 120.65(3.86) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.18 R 0.15 Y 0.13 L 0.12 C 0.09 D 0.03 I 0.03 C Shift Assignments>> C :: 173.224 CA :: 58.615 CB :: 42.291 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 :: 7.682 HA :: 5.115 HB2 :: 2.393 HB3 :: 2.918 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 :: 121.197 Ave N Shift Values>> N :: 120.52(4.2) 1.W110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 W 0.38 H 0.08 C Shift Assignments>> C :: 178.218 CA :: 56.463 CB :: 32.174 CD1 :: 127.416 CZ2 :: 113.089 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 :: 8.936 HA :: 4.692 HB2 :: 3.065 HB3 :: 3.518 HD1 :: 6.975 HE1 :: 8.372 HZ2 :: 6.179(S) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.369 NE1 :: 125.778 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.306 CA :: 45.245 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.525 HA2 :: 4.598 HA3 :: 4.898 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.855 Ave N Shift Values>> N :: 109.67(3.87) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Q 0.29 E 0.06 C Shift Assignments>> C :: 176.947 CA :: 57.459 CB :: 27.582 CG :: 33.242 CD :: 181.751 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 :: 8.505 HA :: 4.670 HB2 :: 2.401 HB3 :: 2.466 HG2 :: 2.861 HG3 :: 2.902 HE21 :: 7.275 HE22 :: 7.617 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.919 NE2 :: 110.454 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G113 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 :: 172.687 CA :: 44.983 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.339 HA2 :: 3.559 HA3 :: 3.764 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.473 Ave N Shift Values>> N :: 109.67(3.87) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 62.404 CB :: 71.760 CG2 :: 22.317 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 :: 8.229 HA :: 4.438 HB :: 3.634 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.171 Ave N Shift Values>> N :: 115.42(4.75) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.765 CA :: 63.659 CB :: 68.814 CG2 :: 21.804 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>> HA :: 4.518 HB :: 4.031 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 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) 1.V116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 175.111(D) CA :: 61.388 CB :: 34.412 CG1 :: 21.301 CG2 :: 21.134 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 :: 8.825 HA :: 4.426 HB :: 2.170 HG11 :: 0.628 HG12 :: 0.628 HG13 :: 0.628 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 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 :: 130.044 Ave N Shift Values>> N :: 121.14(4.54) 1.T117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.947(D) CA :: 62.091 CB :: 70.112 CG2 :: 21.213 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 :: 8.456(D) HA :: 4.477 HB :: 4.043 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 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 :: 123.242(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 176.242(D) CA :: 60.386(D) CB :: 31.646 CG1 :: 20.458 CG2 :: 19.067 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 :: 8.140(D) HA :: 4.669(D) HB :: 1.841 HG11 :: 0.466 HG12 :: 0.466 HG13 :: 0.466 HG21 :: 0.598 HG22 :: 0.598 HG23 :: 0.598 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 :: 127.784(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.59 L 0.21 R 0.09 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.647(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.301(D) HA2 :: 4.017(D) HA3 :: 4.017(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.377(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.088(D) CA :: 62.912 CB :: 32.368 CG :: 27.114 CD :: 49.712 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 :: 4.422 HB2 :: 1.994 HB3 :: 2.237 HG2 :: 1.986 HG3 :: 1.986 HD2 :: 3.551 HD3 :: 3.599 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.E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.37 M 0.12 Q 0.03 K 0.03 I 0.02 C Shift Assignments>> C :: 176.614(D) CA :: 57.056 CB :: 30.702 CG :: 36.504 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 :: 8.345(D) HA :: 4.228 HB2 :: 1.954 HB3 :: 2.075 HG2 :: 2.266 HG3 :: 2.266 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.717(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.36 M 0.07 K 0.06 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.440(D) CA :: 57.241 CB :: 30.143 CG :: 36.406 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 :: 8.533(D) HA :: 4.199 HB2 :: 1.941 HB3 :: 2.029 HG2 :: 2.237 HG3 :: 2.237 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 :: 120.904(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.27 C 0.24 E 0.06 M 0.06 R 0.03 C Shift Assignments>> C :: 175.579(D) CA :: 56.148 CB :: 29.377 CG :: 33.750 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 :: 8.160(D) HA :: 4.265 HB2 :: 1.915 HB3 :: 2.006 HG2 :: 2.223 HG3 :: 2.223 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.537(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.25 C 0.18 I 0.15 E 0.02 D 0.02 L 0.02 N 0.01 HN Overlap>> 1.D225 1.D225 C Shift Assignments>> C :: 175.895(D) CA :: 58.374 CB :: 38.651 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 :: 8.053(D) HA :: 4.526 HB2 :: 2.988 HB3 :: 3.092 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 :: 120.781(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S32 1.S32 C Shift Assignments>> C :: 174.180(D) CA :: 58.320 CB :: 63.973 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.991(D) HA :: 4.352 HB2 :: 3.759 HB3 :: 3.808 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 :: 117.107(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> C :: 177.356(D) CA :: 52.821 CB :: 19.066 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.058(D) HA :: 4.225 HB1 :: 1.267 HB2 :: 1.267 HB3 :: 1.267 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.519(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.18 I 0.11 D 0.04 E 0.03 L 0.03 N 0.02 C Shift Assignments>> C :: 175.567 CA :: 57.750 CB :: 38.683 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 :: 7.844(D) HA :: 4.521 HB2 :: 2.902 HB3 :: 3.079 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 :: 118.277(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 C Shift Assignments>> C :: 178.020 CA :: 52.638 CB :: 19.423 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.961 HA :: 4.381 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.725 Ave N Shift Values>> N :: 123.23(3.54) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.889 CA :: 61.778 CB :: 69.787 CG2 :: 21.585 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 :: 8.063 HA :: 4.409 HB :: 4.276 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 113.065 Ave N Shift Values>> N :: 115.42(4.75) 1.T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.T71 1.T71 C Shift Assignments>> C :: 175.063 CA :: 62.018 CB :: 69.953 CG2 :: 21.585 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 :: 8.053 HA :: 4.376 HB :: 4.254 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 115.485 Ave N Shift Values>> N :: 115.42(4.75) 1.G131 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 R 0.01 C Shift Assignments>> C :: 173.894 CA :: 45.374 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.329 HA2 :: 3.951 HA3 :: 3.951 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.010 Ave N Shift Values>> N :: 109.67(3.87) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 HN Overlap>> 1.A136 1.A136 C Shift Assignments>> C :: 177.661 CA :: 52.584 CB :: 19.481 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.107 HA :: 4.360 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.715 Ave N Shift Values>> N :: 123.23(3.54) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.419 CA :: 61.730 CB :: 69.924 CG2 :: 21.663 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 :: 8.036 HA :: 4.325 HB :: 4.237 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 112.801 Ave N Shift Values>> N :: 115.42(4.75) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.09 C 0.02 C Shift Assignments>> C :: 178.062 CA :: 52.735 CB :: 19.369 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.211 HA :: 4.331 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.422 Ave N Shift Values>> N :: 123.23(3.54) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.941 CA :: 45.330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.269 HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.325 Ave N Shift Values>> N :: 109.67(3.87) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 HN Overlap>> 1.A132 1.A132 C Shift Assignments>> C :: 178.271 CA :: 52.638 CB :: 19.418 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.068 HA :: 4.326 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.654 Ave N Shift Values>> N :: 123.23(3.54) 1.G137 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 :: 174.055 CA :: 45.398 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.360 HA2 :: 3.938 HA3 :: 3.938 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.196 Ave N Shift Values>> N :: 109.67(3.87) 1.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 175.895 CA :: 55.660 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 :: 8.082 HA :: 4.371 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.622 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.933(D) CA :: 58.407 CB :: 63.978 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.291 HA :: 4.462 HB2 :: 3.783 HB3 :: 3.783 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 :: 117.473 Ave N Shift Values>> N :: 116.28(3.52) 1.W140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.44 C 0.4 H 0.15 HN Overlap>> 1.A252 1.A252 C Shift Assignments>> C :: 175.926(D) CA :: 57.432 CB :: 29.830 CD1 :: 127.512 CZ2 :: 114.660 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 :: 8.217(D) HA :: 4.664 HB2 :: 3.169 HB3 :: 3.169 HD1 :: 7.266 HE1 :: 10.167 HZ2 :: 7.475 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.456(D) NE1 :: 129.809 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.25 C 0.19 I 0.12 E 0.03 D 0.03 L 0.02 N 0.02 M 0.01 C Shift Assignments>> C :: 175.602(D) CA :: 57.900 CB :: 38.537 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 :: 8.092(D) HA :: 4.475 HB2 :: 2.806 HB3 :: 3.016 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 :: 122.339(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.667 CA :: 45.419 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.124(D) HA2 :: 3.459 HA3 :: 3.641 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.422(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.17 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> CA :: 56.543 CB :: 31.041 CG :: 36.367 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 :: 8.208 HA :: 4.350 HB2 :: 1.898 HB3 :: 1.943 HG2 :: 2.201 HG3 :: 2.201 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 :: 120.530 Ave N Shift Values>> N :: 120.67(3.48) 1.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 174.548 CA :: 61.427 CB :: 38.200 CG1 :: 27.404 CG2 :: 17.732 CD1 :: 13.308 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>> HA :: 3.879 HB :: 1.697 HG12 :: 0.929 HG13 :: 1.500 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 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) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 M 0.24 Q 0.02 C Shift Assignments>> C :: 176.126 CA :: 55.520 CB :: 31.608 CG :: 36.538 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 :: 8.602 HA :: 4.527 HB2 :: 1.882 HB3 :: 1.985 HG2 :: 2.134 HG3 :: 2.261 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 :: 130.152 Ave N Shift Values>> N :: 120.67(3.48) 1.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.2 R 0.15 G 0.09 A 0.02 C Shift Assignments>> C :: 176.154 CA :: 53.426 CB :: 43.192 CG :: 26.953 CD1 :: 24.035 CD2 :: 26.676 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 :: 9.130 HA :: 5.305 HB2 :: 1.152 HB3 :: 1.511 HG :: 1.503 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.687 HD22 :: 0.687 HD23 :: 0.687 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 :: 128.032 Ave N Shift Values>> N :: 121.86(3.9) 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.779 CA :: 61.442 CB :: 70.556 CG2 :: 21.646 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.475 HA :: 4.730 HB :: 4.058 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.838 Ave N Shift Values>> N :: 115.42(4.75) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.08 Q 0.08 R 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 174.992 CA :: 55.475 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.758 HA :: 5.467 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 :: 128.041 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.932 CB :: 65.529 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.271 HA :: 4.736 HB2 :: 3.669 HB3 :: 3.729 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 :: 117.301 Ave N Shift Values>> N :: 116.28(3.52) 1.P150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.783 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) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.37 C 0.04 I 0.02 C Shift Assignments>> C :: 178.665 CA :: 54.987 CB :: 18.917 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.950 HA :: 4.626 HB1 :: 1.636 HB2 :: 1.636 HB3 :: 1.636 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.330 Ave N Shift Values>> N :: 123.23(3.54) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 173.829 CA :: 59.752 CB :: 41.344 CG1 :: 27.953 CG2 :: 16.574 CD1 :: 13.988 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 :: 7.712 HA :: 5.096 HB :: 1.791 HG12 :: 1.100 HG13 :: 1.566 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.308 Ave N Shift Values>> N :: 121.46(4.28) 1.M153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 A 0.33 M 0.3 I 0.01 C Shift Assignments>> C :: 172.889 CA :: 54.765 CB :: 36.334 CG :: 30.928 CE :: 17.597 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 :: 9.183 HA :: 4.799 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.256 HG3 :: 2.349 HE1 :: 2.128 HE2 :: 2.128 HE3 :: 2.128 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 :: 124.711 Ave N Shift Values>> N :: 120.09(3.57) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K188 1.K188 C Shift Assignments>> C :: 173.155 CA :: 56.197 CB :: 64.891 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.486 HA :: 5.383 HB2 :: 3.582 HB3 :: 3.672 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 :: 117.863 Ave N Shift Values>> N :: 116.28(3.52) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.21 C 0.18 K 0.05 P 0.01 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> C :: 175.965 CA :: 50.837 CB :: 23.357 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.509 HA :: 4.700 HB1 :: 1.289 HB2 :: 1.289 HB3 :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.628 Ave N Shift Values>> N :: 123.23(3.54) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.874 CA :: 57.736 CB :: 64.443 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.727 HA :: 4.721 HB2 :: 3.645 HB3 :: 3.856 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 :: 117.753 Ave N Shift Values>> N :: 116.28(3.52) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 A 0.01 HN Overlap>> 1.E254 1.E254 C Shift Assignments>> C :: 178.814 CA :: 56.717 CB :: 40.595 CG :: 26.722 CD1 :: 23.060 CD2 :: 25.460 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 :: 8.319 HA :: 3.792 HB2 :: 1.455 HB3 :: 1.685 HG :: 1.793 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 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 :: 121.016 Ave N Shift Values>> N :: 121.86(3.9) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.762 CA :: 45.094 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.482 HA2 :: 3.384 HA3 :: 4.335 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.567 Ave N Shift Values>> N :: 109.67(3.87) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.33 M 0.16 I 0.01 C Shift Assignments>> C :: 175.243 CA :: 56.546 CB :: 31.601 CG :: 37.197 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 :: 7.679 HA :: 4.313 HB2 :: 2.023 HB3 :: 2.106 HG2 :: 2.281 HG3 :: 2.281 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 :: 120.819 Ave N Shift Values>> N :: 120.67(3.48) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 C 0.33 E 0.23 C Shift Assignments>> C :: 176.078 CA :: 55.374 CB :: 30.072 CG :: 34.563 CD :: 180.532 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 :: 8.240 HA :: 4.730 HB2 :: 1.927 HB3 :: 2.059 HG2 :: 2.080 HG3 :: 2.300 HE21 :: 6.646 HE22 :: 7.197 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.904 NE2 :: 111.309 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 174.264 CA :: 60.882 CB :: 36.086 CG1 :: 21.895 CG2 :: 21.017 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 :: 8.423 HA :: 4.363 HB :: 1.661 HG11 :: 0.769 HG12 :: 0.769 HG13 :: 0.769 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 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 :: 125.104 Ave N Shift Values>> N :: 121.14(4.54) 1.T162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.844 CA :: 61.928 CB :: 71.654 CG2 :: 21.477 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 :: 8.249 HA :: 5.228 HB :: 3.730 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 121.231 Ave N Shift Values>> N :: 115.42(4.75) 1.M163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.34 A 0.2 C Shift Assignments>> C :: 174.642 CA :: 54.593 CB :: 35.826 CG :: 31.719 CE :: 16.593 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 :: 9.030 HA :: 5.006 HB2 :: 2.139 HB3 :: 2.388 HG2 :: 2.415 HG3 :: 2.477 HE1 :: 1.377 HE2 :: 1.377 HE3 :: 1.377 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 :: 125.154 Ave N Shift Values>> N :: 120.09(3.57) 1.T164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.676 CA :: 61.920 CB :: 72.507 CG2 :: 21.519 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 :: 8.969 HA :: 5.451 HB :: 4.321 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 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 :: 112.062 Ave N Shift Values>> N :: 115.42(4.75) 1.C165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.26 L 0.11 C Shift Assignments>> C :: 172.166 CA :: 56.333 CB :: 47.711 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.561 HA :: 5.184 HB2 :: 2.646 HB3 :: 3.442 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 :: 127.588 Ave N Shift Values>> N :: 120.17(4.64) 1.T166 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 :: 173.482 CA :: 60.717 CB :: 71.026 CG2 :: 21.665 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.362 HA :: 5.577 HB :: 4.106 HG21 :: 1.298 HG22 :: 1.298 HG23 :: 1.298 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 :: 123.632 Ave N Shift Values>> N :: 115.42(4.75) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.36 C 0.19 K 0.02 P 0.01 C Shift Assignments>> C :: 178.065 CA :: 50.036 CB :: 23.071 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.340 HA :: 5.465 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.394 Ave N Shift Values>> N :: 123.23(3.54) 1.S168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.094 CA :: 60.565 CB :: 62.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.744 HA :: 4.164 HB2 :: 4.043 HB3 :: 4.043 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.948 Ave N Shift Values>> N :: 116.28(3.52) 1.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.716 CA :: 57.014 CB :: 65.198 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.422 HA :: 4.448 HB2 :: 3.767 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 :: 114.236 Ave N Shift Values>> N :: 116.28(3.52) 1.S170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.771 CA :: 60.351 CB :: 63.485 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.023 HA :: 3.704 HB2 :: 3.725 HB3 :: 3.725 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.560 Ave N Shift Values>> N :: 116.28(3.52) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 174.897 CA :: 60.106 CB :: 35.696 CG1 :: 21.436 CG2 :: 21.500 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 :: 8.148 HA :: 3.994 HB :: 1.789 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 123.175 Ave N Shift Values>> N :: 121.14(4.54) 1.S172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.871 CA :: 58.532 CB :: 62.721 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.748 HA :: 4.227 HB2 :: 3.346 HB3 :: 3.455 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 :: 120.292 Ave N Shift Values>> N :: 116.28(3.52) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.821 CA :: 61.344 CB :: 63.270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.460 HA :: 4.235 HB2 :: 4.179 HB3 :: 4.246 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 :: 122.297 Ave N Shift Values>> N :: 116.28(3.52) 1.S174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 173.389 CA :: 61.608 CB :: 62.656 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.818 HA :: 3.958 HB2 :: 3.164 HB3 :: 3.557 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 :: 117.207 Ave N Shift Values>> N :: 116.28(3.52) 1.Y175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.13 D 0.11 L 0.09 I 0.05 N 0.04 C Shift Assignments>> C :: 170.749 CA :: 57.029 CB :: 39.749 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 :: 7.634 HA :: 4.533 HB2 :: 2.407 HB3 :: 3.606 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 :: 115.938 Ave N Shift Values>> N :: 120.52(4.2) 1.L176 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.58 L 0.21 C 0.14 G 0.05 C Shift Assignments>> C :: 174.372 CA :: 51.337 CB :: 42.380 CG :: 26.133 CD1 :: 22.094 CD2 :: 21.505 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 :: 6.163 HA :: 4.647 HB2 :: 0.442(S) HB3 :: 1.529 HG :: -0.405(S) HD11 :: 0.152 HD12 :: 0.152 HD13 :: 0.152 HD21 :: 0.245 HD22 :: 0.245 HD23 :: 0.245 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 :: 123.543 Ave N Shift Values>> N :: 121.86(3.9) 1.H177 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 Y 0.09 H 0.06 W 0.05 C Shift Assignments>> C :: 174.183 CA :: 53.055 CB :: 35.076 CD2 :: 125.054 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 :: 8.395 HA :: 5.239 HB2 :: 2.566 HB3 :: 3.345 HD2 :: 5.254(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 :: 123.364 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.42 H 0.05 C Shift Assignments>> C :: 176.098 CA :: 55.571 CB :: 32.580 CD1 :: 126.239 CZ2 :: 113.500 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 :: 9.506 HA :: 5.918 HB2 :: 2.973 HB3 :: 3.236 HD1 :: 6.760 HE1 :: 10.287 HZ2 :: 6.952 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 :: 115.371 NE1 :: 130.469 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.22 K 0.18 F 0.11 D 0.08 Y 0.07 C 0.06 G 0.01 C Shift Assignments>> C :: 173.435 CA :: 56.933 CB :: 42.613 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 :: 9.863 HA :: 5.459 HB2 :: 2.632 HB3 :: 2.759 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 :: 118.433 Ave N Shift Values>> N :: 120.52(4.2) 1.Q180 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 N 0.45 HN Overlap>> 1.T217 1.S53 1.T217 1.S53 C Shift Assignments>> C :: 174.797 CA :: 54.181 CB :: 33.468 CG :: 35.900 CD :: 176.299 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.156 HA :: 4.263 HB2 :: 0.301(S) HB3 :: 1.199 HG2 :: 0.656(S) HG3 :: 0.915(S) HE21 :: 6.386 HE22 :: 6.686 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 :: 122.357 NE2 :: 111.947 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 174.094 CA :: 55.535 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.453 HA :: 4.698 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 :: 128.633 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.16 K 0.16 Q 0.14 H 0.09 R 0.09 W 0.05 E 0.02 C Shift Assignments>> CA :: 54.277 CB :: 32.892 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 :: 8.663 HA :: 4.606 HB2 :: 1.490 HB3 :: 1.874 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 :: 131.166 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P183 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G184 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.863 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> CA :: 56.916 CB :: 66.131 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.875 HA :: 5.085 HB2 :: 3.904 HB3 :: 3.952 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.931 Ave N Shift Values>> N :: 116.28(3.52) 1.S186 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P187 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.126 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) 1.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.29 K 0.26 G 0.04 HN Overlap>> 1.S154 1.S154 C Shift Assignments>> C :: 176.892 CA :: 54.345 CB :: 35.946 CG :: 25.171 CD :: 29.669 CE :: 42.700 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 :: 8.498 HA :: 4.736 HB2 :: 1.827 HB3 :: 2.033 HG2 :: 1.596 HG3 :: 1.638 HD2 :: 1.938 HD3 :: 1.938 HE2 :: 3.169 HE3 :: 3.208 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 :: 117.934 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 C Shift Assignments>> C :: 173.480 CA :: 57.644 CB :: 40.177 CG :: 27.277 CD1 :: 26.155 CD2 :: 23.184 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 :: 9.271 HA :: 4.093 HB2 :: 1.747 HB3 :: 2.131 HG :: 1.210 HD11 :: 0.479 HD12 :: 0.479 HD13 :: 0.479 HD21 :: 0.628 HD22 :: 0.628 HD23 :: 0.628 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 :: 127.868 Ave N Shift Values>> N :: 121.86(3.9) 1.W190 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.98 C Shift Assignments>> C :: 174.847 CA :: 57.271 CB :: 35.298 CD1 :: 121.538 CZ2 :: 114.690 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 :: 9.142 HA :: 4.952 HB2 :: 3.103 HB3 :: 3.103 HD1 :: 6.203 HE1 :: 5.388(S) HZ2 :: 7.056 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 :: 133.168 NE1 :: 121.894(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) 1.I191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.36 G 0.01 A 0.01 C Shift Assignments>> C :: 175.403 CA :: 58.420 CB :: 42.285 CG1 :: 27.573 CG2 :: 17.488 CD1 :: 12.822 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 :: 7.955 HA :: 4.852 HB :: 1.846 HG12 :: 1.107 HG13 :: 1.361 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 HD11 :: 0.554 HD12 :: 0.554 HD13 :: 0.554 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.426 Ave N Shift Values>> N :: 121.46(4.28) 1.Y192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.17 K 0.1 F 0.05 C 0.04 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 174.568 CA :: 53.879 CB :: 42.692 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 :: 9.106 HA :: 6.081 HB2 :: 2.402 HB3 :: 3.151 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 :: 121.713 Ave N Shift Values>> N :: 120.52(4.2) 1.S193 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.786 CA :: 57.834 CB :: 61.811 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 11.656(S) HA :: 3.859 HB2 :: 3.726 HB3 :: 4.011 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 :: 122.423 Ave N Shift Values>> N :: 116.28(3.52) 1.T194 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 T 0.03 C Shift Assignments>> C :: 175.783 CA :: 71.322(S) CB :: 65.898 CG2 :: 21.512 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.254 HA :: 3.320 HB :: 4.636 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.671 Ave N Shift Values>> N :: 115.42(4.75) 1.S195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.940 CA :: 58.537 CB :: 65.648 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.982 HA :: 4.495 HB2 :: 3.743 HB3 :: 3.883 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.382 Ave N Shift Values>> N :: 116.28(3.52) 1.N196 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.64 D 0.26 C 0.09 C Shift Assignments>> C :: 172.306 CA :: 52.548 CB :: 38.979 CG :: 177.639 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.577 HA :: 4.609 HB2 :: 1.339(S) HB3 :: 1.500(S) HD21 :: 6.290 HD22 :: 7.168 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.566 ND2 :: 115.949 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.44 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 177.458 CA :: 55.825 CB :: 42.157 CG :: 28.626 CD1 :: 23.708 CD2 :: 24.441 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 :: 8.330 HA :: 4.138 HB2 :: 1.320 HB3 :: 1.524 HG :: 1.523 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 124.413 Ave N Shift Values>> N :: 121.86(3.9) 1.A198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C 0.01 C Shift Assignments>> C :: 176.507 CA :: 51.318 CB :: 18.903 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.734 HA :: 4.230 HB1 :: 1.098 HB2 :: 1.098 HB3 :: 1.098 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.571 Ave N Shift Values>> N :: 123.23(3.54) 1.S199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.161 CB :: 63.019 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 4.084 HB2 :: 3.839 HB3 :: 3.839 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.373 Ave N Shift Values>> N :: 116.28(3.52) 1.G200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.995 CA :: 45.273 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.580 HA3 :: 4.097 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.V201 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.76 V 0.23 C Shift Assignments>> CA :: 60.876 CB :: 31.787 CG1 :: 20.799 CG2 :: 17.844 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 :: 7.228 HA :: 3.385 HB :: 1.552 HG11 :: -0.390(S) HG12 :: -0.390(S) HG13 :: -0.390(S) HG21 :: -0.109 HG22 :: -0.109 HG23 :: -0.109 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 :: 125.055 Ave N Shift Values>> N :: 121.14(4.54) 1.P202 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.541 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) 1.A203 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.178 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.223 Ave N Shift Values>> N :: 123.23(3.54) 1.R204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 175.740 CA :: 56.707 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>> HA :: 4.184 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) 1.F205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 C 0.12 L 0.09 I 0.08 K 0.08 D 0.05 C Shift Assignments>> C :: 173.757 CA :: 58.359 CB :: 40.671 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 :: 7.869 HA :: 4.994 HB2 :: 2.526 HB3 :: 3.047 HD1 :: 7.341 HD2 :: 7.341 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 :: 120.728 Ave N Shift Values>> N :: 120.45(4.18) 1.S206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.688 CA :: 57.610 CB :: 65.721 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.794 HA :: 4.486 HB2 :: 3.777 HB3 :: 3.777 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 :: 112.135 Ave N Shift Values>> N :: 116.28(3.52) 1.S207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.030 CA :: 56.931 CB :: 65.384 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.431 HA :: 5.361 HB2 :: 3.799 HB3 :: 3.883 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 :: 115.819 Ave N Shift Values>> N :: 116.28(3.52) 1.S208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.983 CA :: 57.170 CB :: 65.925 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.456 HA :: 4.689 HB2 :: 3.729 HB3 :: 3.796 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 :: 115.329 Ave N Shift Values>> N :: 116.28(3.52) 1.G209 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 :: 171.619 CA :: 46.063 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.104 HA2 :: 3.797 HA3 :: 4.724 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.837 Ave N Shift Values>> N :: 109.67(3.87) 1.S210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.517 CA :: 58.313 CB :: 64.268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.153 HA :: 4.332 HB2 :: 3.839 HB3 :: 3.895 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 :: 109.305 Ave N Shift Values>> N :: 116.28(3.52) 1.G211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 P 0.24 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.029 CA :: 48.070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.643 HA2 :: 3.695 HA3 :: 4.101 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.066 Ave N Shift Values>> N :: 109.67(3.87) 1.T212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.867 CA :: 61.082 CB :: 70.415 CG2 :: 21.404 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 :: 8.461 HA :: 4.622 HB :: 4.993 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 116.370 Ave N Shift Values>> N :: 115.42(4.75) 1.S213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.850 CA :: 58.464 CB :: 65.035 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.648 HA :: 5.158 HB2 :: 3.631 HB3 :: 3.771 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.195 Ave N Shift Values>> N :: 116.28(3.52) 1.Y214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.19 K 0.18 F 0.12 Y 0.08 C 0.06 D 0.06 G 0.01 I 0.01 C Shift Assignments>> C :: 175.774 CA :: 57.555 CB :: 42.681 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 :: 8.779 HA :: 5.276 HB2 :: 2.906 HB3 :: 3.382 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 :: 125.875 Ave N Shift Values>> N :: 120.52(4.2) 1.S215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.73 T 0.26 C Shift Assignments>> C :: 171.311 CA :: 57.610 CB :: 66.791 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.257 HA :: 5.644 HB2 :: 3.666 HB3 :: 3.743 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 :: 115.794 Ave N Shift Values>> N :: 116.28(3.52) 1.L216 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.66 C 0.22 R 0.05 G 0.04 C Shift Assignments>> C :: 174.494 CA :: 54.398 CB :: 42.930 CG :: 26.738 CD1 :: 25.112 CD2 :: 25.347 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 :: 8.443 HA :: 4.475 HB2 :: -0.802(S) HB3 :: 0.500 HG :: 1.024 HD11 :: 0.279 HD12 :: 0.279 HD13 :: 0.279 HD21 :: 0.356 HD22 :: 0.356 HD23 :: 0.356 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 :: 125.975 Ave N Shift Values>> N :: 121.86(3.9) 1.T217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 HN Overlap>> 1.S53 1.Q180 1.S53 1.Q180 C Shift Assignments>> C :: 172.774 CA :: 60.632 CB :: 72.167 CG2 :: 21.092 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.080 HA :: 5.373 HB :: 3.596 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.309 Ave N Shift Values>> N :: 115.42(4.75) 1.I218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 176.597 CA :: 59.719 CB :: 39.164 CG1 :: 26.157 CG2 :: 17.428 CD1 :: 14.312 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 :: 8.952 HA :: 4.068 HB :: 1.277 HG12 :: 0.045 HG13 :: 0.909 HG21 :: 0.087 HG22 :: 0.087 HG23 :: 0.087 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 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 :: 125.519 Ave N Shift Values>> N :: 121.46(4.28) 1.S219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.229 CA :: 60.820 CB :: 62.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.969 HA :: 3.955 HB2 :: 3.792 HB3 :: 3.792 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 :: 122.420 Ave N Shift Values>> N :: 116.28(3.52) 1.R220 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.48 C 0.35 G 0.09 K 0.06 C Shift Assignments>> C :: 174.233 CA :: 55.359 CB :: 31.943 CG :: 27.273 CD :: 43.560 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 :: 6.202(S) HA :: 3.733 HB2 :: 1.549 HB3 :: 1.549 HG2 :: 1.398 HG3 :: 1.554 HD2 :: 3.140 HD3 :: 3.140 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 :: 117.921 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.M221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.45 A 0.03 C Shift Assignments>> C :: 176.215 CA :: 57.685 CB :: 32.291 CG :: 32.551 CE :: 18.191 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 :: 8.483 HA :: 3.988 HB2 :: 1.820 HB3 :: 2.150 HG2 :: 2.208 HG3 :: 2.459 HE1 :: 1.716 HE2 :: 1.716 HE3 :: 1.716 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.705 Ave N Shift Values>> N :: 120.09(3.57) 1.E222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.22 Q 0.16 K 0.11 E 0.11 N 0.03 H 0.02 Y 0.02 R 0.01 W 0.01 C Shift Assignments>> C :: 177.440 CA :: 54.502 CG :: 34.964 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 :: 8.986 HA :: 4.783 HG2 :: 2.229 HG3 :: 2.229 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 :: 128.427 Ave N Shift Values>> N :: 120.67(3.48) 1.A223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.18 I 0.08 C 0.02 C Shift Assignments>> C :: 180.528 CA :: 56.083 CB :: 17.675 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.164 HA :: 3.881 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.026 Ave N Shift Values>> N :: 123.23(3.54) 1.E224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.29 K 0.16 Q 0.13 I 0.05 M 0.02 HN Overlap>> 1.T88 1.T88 C Shift Assignments>> C :: 176.216 CA :: 57.352 CB :: 29.098 CG :: 35.627 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 :: 8.708 HA :: 4.318 HB2 :: 2.126 HB3 :: 2.178 HG2 :: 2.252 HG3 :: 2.292 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 :: 113.503 Ave N Shift Values>> N :: 120.67(3.48) 1.D225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 F 0.11 Y 0.09 N 0.07 C 0.06 R 0.01 HN Overlap>> 1.Y124 1.Y124 C Shift Assignments>> C :: 177.423 CA :: 54.993 CB :: 41.175 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 :: 8.043 HA :: 4.586 HB2 :: 2.828 HB3 :: 3.102 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 120.65(3.86) 1.A226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.46 C 0.01 I 0.01 C Shift Assignments>> C :: 175.629 CA :: 54.328 CB :: 17.880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.188 HA :: 4.152 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.527 Ave N Shift Values>> N :: 123.23(3.54) 1.A227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.05 C 0.03 M 0.01 C Shift Assignments>> C :: 174.799 CA :: 51.435 CB :: 20.840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.294 HA :: 4.339 HB1 :: 0.834 HB2 :: 0.834 HB3 :: 0.834 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.850 Ave N Shift Values>> N :: 123.23(3.54) 1.T228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.573 CA :: 62.319 CB :: 68.981 CG2 :: 21.159 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 :: 7.922 HA :: 5.319 HB :: 3.863 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.123 Ave N Shift Values>> N :: 115.42(4.75) 1.Y229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 F 0.15 D 0.13 Y 0.11 C 0.06 R 0.05 I 0.01 N 0.01 C Shift Assignments>> C :: 176.642 CA :: 56.670 CB :: 41.615 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 :: 8.727 HA :: 5.420 HB2 :: 2.910 HB3 :: 3.124 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 :: 125.063 Ave N Shift Values>> N :: 120.52(4.2) 1.Y230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.21 F 0.1 C 0.07 K 0.07 Y 0.06 G 0.05 D 0.04 C Shift Assignments>> C :: 175.662 CA :: 57.695 CB :: 43.370 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 :: 9.677 HA :: 5.611 HB2 :: 2.745 HB3 :: 3.285 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 :: 122.269 Ave N Shift Values>> N :: 120.52(4.2) 1.C231 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.68 L 0.18 R 0.03 C 0.03 D 0.03 C Shift Assignments>> C :: 172.998 CA :: 53.222 CB :: 44.907 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.524 HA :: 5.660 HB2 :: 1.345(S) HB3 :: 2.089 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 :: 115.641 Ave N Shift Values>> N :: 120.17(4.64) 1.Q232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 172.537 CA :: 55.186 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 :: 8.705 HA :: 4.766 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.385 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q233 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.3 A 0.27 N 0.18 D 0.07 L 0.03 C 0.02 M 0.02 H 0.01 R 0.01 W 0.01 Q 0.01 HN Overlap>> 1.I249 1.I249 C Shift Assignments>> C :: 174.852 CA :: 51.224 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 :: 8.374 HA :: 6.157(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.832 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 M 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 172.622 CA :: 56.348 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.298 HA :: 4.634 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.036 Ave N Shift Values>> N :: 116.28(3.52) 1.W235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 W 0.43 H 0.11 C Shift Assignments>> C :: 175.843 CA :: 58.271 CB :: 31.099 CD1 :: 127.162 CZ2 :: 114.770 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 :: 8.424 HA :: 4.347 HB2 :: 2.860 HB3 :: 3.311 HD1 :: 6.341 HE1 :: 10.076 HZ2 :: 7.488 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 :: 124.160 NE1 :: 129.871 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 A 0.17 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> C :: 173.583 CA :: 53.753 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 :: 8.993 HA :: 4.068 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 :: 119.811 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A237 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> CA :: 49.794 CB :: 16.639 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.910 HA :: 2.114(S) HB1 :: 0.357(S) HB2 :: 0.357(S) HB3 :: 0.357(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.369 Ave N Shift Values>> N :: 123.23(3.54) 1.P238 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.29 E 0.22 M 0.1 K 0.09 Q 0.07 Y 0.05 I 0.04 V 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 174.198 CA :: 58.465 CB :: 35.356 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>> HA :: 4.073 HB2 :: 1.733 HB3 :: 3.104 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) 1.T240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 T 0.05 C Shift Assignments>> C :: 172.528 CA :: 60.335 CB :: 72.811 CG2 :: 24.202 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 :: 7.160 HA :: 4.795 HB :: 4.684 HG21 :: 1.486 HG22 :: 1.486 HG23 :: 1.486 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 :: 109.189 Ave N Shift Values>> N :: 115.42(4.75) 1.F241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.26 G 0.19 C 0.06 F 0.05 D 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 178.553 CA :: 56.192 CB :: 44.156 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 :: 8.797 HA :: 5.398 HB2 :: 3.276 HB3 :: 3.432 HD1 :: 6.988 HD2 :: 6.988 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 :: 117.572 Ave N Shift Values>> N :: 120.45(4.18) 1.G242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.642 CA :: 45.148 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.213 HA2 :: 4.369 HA3 :: 4.775 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.762 Ave N Shift Values>> N :: 109.67(3.87) 1.G243 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 :: 174.983 CA :: 46.126 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.057 HA2 :: 4.103 HA3 :: 4.659 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.129 Ave N Shift Values>> N :: 109.67(3.87) 1.G244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.124 CA :: 45.052 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.600 HA2 :: 3.596 HA3 :: 3.596 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.422 Ave N Shift Values>> N :: 109.67(3.87) 1.T245 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 :: 173.684 CA :: 62.422 CB :: 72.877 CG2 :: 22.098 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 :: 8.161 HA :: 4.764 HB :: 4.148 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.882 Ave N Shift Values>> N :: 115.42(4.75) 1.K246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.06 D 0.05 F 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 172.740 CA :: 56.167 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 :: 8.618 HA :: 4.611 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 :: 130.479 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.24 C 0.2 R 0.08 A 0.01 C Shift Assignments>> C :: 175.200 CA :: 53.726 CB :: 44.743 CG :: 28.094 CD1 :: 26.785 CD2 :: 24.110 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 :: 8.983 HA :: 5.104 HB2 :: 1.311 HB3 :: 2.313 HG :: 1.424 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 130.562 Ave N Shift Values>> N :: 121.86(3.9) 1.E248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.32 E 0.14 Q 0.01 C Shift Assignments>> C :: 174.763 CA :: 53.940 CB :: 33.061 CG :: 36.349 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 :: 8.973 HA :: 4.726 HB2 :: 1.858 HB3 :: 1.956 HG2 :: 2.073 HG3 :: 2.139 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 :: 126.149 Ave N Shift Values>> N :: 120.67(3.48) 1.I249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 HN Overlap>> 1.Q233 1.Q233 C Shift Assignments>> C :: 176.679 CA :: 59.994 CB :: 38.777 CG1 :: 28.371 CG2 :: 17.617 CD1 :: 13.600 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 :: 8.354 HA :: 4.601 HB :: 1.710 HG12 :: 1.045 HG13 :: 1.591 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 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 :: 119.840 Ave N Shift Values>> N :: 121.46(4.28) 1.A250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 176.640 CA :: 51.846 CB :: 19.120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.354 HA :: 4.220 HB1 :: 1.149 HB2 :: 1.149 HB3 :: 1.149 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.694 Ave N Shift Values>> N :: 123.23(3.54) 1.A251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 177.135 CA :: 52.174 CB :: 19.457 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.221 HA :: 4.276 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.989 Ave N Shift Values>> N :: 123.23(3.54) 1.A252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 HN Overlap>> 1.W140 1.W140 C Shift Assignments>> C :: 177.494 CA :: 52.295 CB :: 19.266 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.179 HA :: 4.305 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.533 Ave N Shift Values>> N :: 123.23(3.54) 1.L253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 177.310 CA :: 55.239 CB :: 42.438 CG :: 26.998 CD1 :: 23.568 CD2 :: 24.948 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 :: 8.126 HA :: 4.277 HB2 :: 1.495 HB3 :: 1.565 HG :: 1.580 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 121.490 Ave N Shift Values>> N :: 121.86(3.9) 1.E254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 R 0.1 H 0.1 K 0.09 M 0.08 E 0.08 W 0.07 L 0.06 C 0.06 F 0.06 Y 0.05 D 0.03 S 0.03 N 0.01 HN Overlap>> 1.L157 1.L157 C Shift Assignments>> CA :: 56.655 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 :: 8.264 HA :: 4.274 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 :: 121.027 Ave N Shift Values>> N :: 120.67(3.48) 1.H255 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H256 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H257 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H258 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H259 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H260 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 200 #Clerical: 29 #Suspicious: 31 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 235 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 25 Shift Relative Order (SRO) Results: #Consistent: 258 #Suspicious: 2 C Shift Results: #Consistent: 831 #Duplicate: 28 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1261 #Duplicate: 33 #Unknown: 0 #Suspicious: 48 #Anomalous: 0 N Shift Results: #Consistent: 221 #Duplicate: 22 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.V3 HB = 0.497(S), Expected = 1.98, Std = 0.3200, ChiSquare = 3.5802e-06 1.S11 C = 174.188(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.0169e-01 1.L12 C = 175.706(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.1667e-01 1.L12 CA = 54.319(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4133e-01 1.L12 CB = 44.876(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.7229e-01 1.L12 H = 7.522(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7605e-01 1.L12 HA = 5.422(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9043e-02 1.L12 HB2 = 1.504(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.5522e-01 1.L12 HB3 = 1.590(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.4583e-01 1.L12 N = 124.201(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4834e-01 1.V13 C = 173.112(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.8683e-01 1.V13 CA = 60.031(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8990e-01 1.V13 CB = 35.676(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9803e-02 1.V13 CG1 = 21.895(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.6586e-01 1.V13 H = 8.304(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8333e-01 1.V13 HA = 4.352(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8001e-01 1.V13 HB = 1.732(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.3834e-01 1.V13 HG11 = 0.706(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3342e-01 1.V13 HG12 = 0.706(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3342e-01 1.V13 HG13 = 0.706(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3342e-01 1.V13 N = 122.508(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6317e-01 1.K14 H = 8.069(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4018e-01 1.K14 N = 124.374(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.7794e-01 1.P15 C = 177.320(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.0581e-01 1.S16 H = 9.529(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4264e-02 1.S16 N = 116.842(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7315e-01 1.Q17 C = 173.605(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.6539e-01 1.T18 H = 8.094(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.1383e-01 1.T18 N = 114.780(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9282e-01 1.I30 HG21 = -0.286(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1872e-05 1.I30 HG22 = -0.286(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1872e-05 1.I30 HG23 = -0.286(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1872e-05 1.W35 HB2 = 1.968(S), Expected = 3.19, Std = 0.3500, ChiSquare = 4.8044e-04 1.N36 HA = 6.262(S), Expected = 4.67, Std = 0.3600, ChiSquare = 9.7691e-06 1.W37 HE1 = 7.846(S), Expected = 10.08, Std = 0.6600, ChiSquare = 7.1218e-04 1.I38 CB = 45.434(S), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5629e-04 1.R39 HB2 = 0.440(S), Expected = 1.79, Std = 0.2700, ChiSquare = 5.7330e-07 1.R39 HB3 = 0.789(S), Expected = 1.76, Std = 0.2800, ChiSquare = 5.2463e-04 1.K40 HB2 = 0.899(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.2508e-04 1.Y59 HB2 = 0.881(S), Expected = 2.91, Std = 0.3700, ChiSquare = 4.1632e-08 1.L81 HB2 = -1.131(S), Expected = 1.61, Std = 0.3400, ChiSquare = 7.5201e-16 1.L81 HB3 = 0.046(S), Expected = 1.52, Std = 0.3600, ChiSquare = 4.2318e-05 1.S85 C = 174.639(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.9119e-01 1.V86 H = 7.909(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6959e-01 1.V86 N = 112.295(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1387e-02 1.T87 C = 176.065(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.8623e-01 1.T87 H = 9.182(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2867e-01 1.T87 N = 112.908(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9691e-01 1.T88 C = 176.448(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7832e-01 1.T88 H = 8.671(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8695e-01 1.T88 N = 113.523(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8962e-01 1.E89 H = 8.036(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1827e-01 1.E89 N = 119.783(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9881e-01 1.C96 HB2 = 1.268(S), Expected = 2.96, Std = 0.4400, ChiSquare = 1.2033e-04 1.S97 HB2 = 2.853(S), Expected = 3.88, Std = 0.2500, ChiSquare = 3.9910e-05 1.Y101 HA = 2.325(S), Expected = 4.63, Std = 0.5600, ChiSquare = 3.8538e-05 1.Y101 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y101 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.R102 H = 4.114(S), Expected = 8.24, Std = 0.6100, ChiSquare = 1.3429e-11 1.R102 HB2 = 0.085(S), Expected = 1.79, Std = 0.2700, ChiSquare = 2.7049e-10 1.R102 HB3 = 0.726(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.2175e-04 1.R102 HG2 = 0.646(S), Expected = 1.57, Std = 0.2700, ChiSquare = 6.2112e-04 1.Y105 N = 102.386(S), Expected = 120.52, Std = 4.2000, ChiSquare = 1.5772e-05 1.A106 HB1 = 0.487(S), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0266e-04 1.A106 HB2 = 0.487(S), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0266e-04 1.A106 HB3 = 0.487(S), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0266e-04 1.I107 HG21 = -0.357(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9920e-05 1.I107 HG22 = -0.357(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9920e-05 1.I107 HG23 = -0.357(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9920e-05 1.W110 HZ2 = 6.179(S), Expected = 7.28, Std = 0.3300, ChiSquare = 8.4882e-04 1.V116 C = 175.111(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.8878e-01 1.T117 C = 172.947(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.6541e-01 1.T117 H = 8.456(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2755e-01 1.T117 N = 123.242(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9612e-02 1.V118 C = 176.242(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4339e-01 1.V118 CA = 60.386(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.6194e-01 1.V118 H = 8.140(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2285e-01 1.V118 HA = 4.669(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.0888e-01 1.V118 N = 127.784(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.4335e-01 1.G119 CA = 44.647(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.9984e-01 1.G119 H = 8.301(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6441e-01 1.G119 HA2 = 4.017(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.9892e-01 1.G119 HA3 = 4.017(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.5184e-01 1.G119 N = 113.377(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3812e-01 1.P120 C = 177.088(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.2288e-01 1.E121 C = 176.614(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9555e-01 1.E121 H = 8.345(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7972e-01 1.E121 N = 119.717(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8420e-01 1.E122 C = 176.440(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.2547e-01 1.E122 H = 8.533(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3080e-01 1.E122 N = 120.904(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4639e-01 1.Q123 C = 175.579(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.0776e-01 1.Q123 H = 8.160(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.1900e-01 1.Q123 N = 119.537(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2189e-01 1.Y124 C = 175.895(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.0356e-01 1.Y124 H = 8.053(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.1455e-01 1.Y124 N = 120.781(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.5045e-01 1.S125 C = 174.180(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9809e-01 1.S125 H = 7.991(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2425e-01 1.S125 N = 117.107(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1425e-01 1.A126 C = 177.356(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5693e-01 1.A126 H = 8.058(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1292e-01 1.A126 N = 125.519(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1788e-01 1.Y127 H = 7.844(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.1437e-01 1.Y127 N = 118.277(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.9331e-01 1.S139 C = 173.933(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.8958e-01 1.W140 C = 175.926(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.2311e-01 1.W140 H = 8.217(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2638e-01 1.W140 N = 123.456(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.7092e-01 1.Y141 C = 175.602(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.1915e-01 1.Y141 H = 8.092(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.5479e-01 1.Y141 N = 122.339(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.6495e-01 1.G142 H = 7.124(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3542e-02 1.G142 N = 108.422(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4709e-01 1.L176 HB2 = 0.442(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.9191e-04 1.L176 HG = -0.405(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.5127e-09 1.H177 HD2 = 5.254(S), Expected = 7.00, Std = 0.4300, ChiSquare = 4.8975e-05 1.Q180 HB2 = 0.301(S), Expected = 2.05, Std = 0.2500, ChiSquare = 2.6337e-12 1.Q180 HG2 = 0.656(S), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1396e-10 1.Q180 HG3 = 0.915(S), Expected = 2.29, Std = 0.2900, ChiSquare = 2.1227e-06 1.W190 HE1 = 5.388(S), Expected = 10.08, Std = 0.6600, ChiSquare = 1.1681e-12 1.W190 NE1 = 121.894(S), Expected = 129.32, Std = 2.1100, ChiSquare = 4.3247e-04 1.W190 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.S193 H = 11.656(S), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0526e-08 1.T194 CA = 71.322(S), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4094e-04 1.N196 HB2 = 1.339(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.0834e-06 1.N196 HB3 = 1.500(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.5194e-04 1.V201 HG11 = -0.390(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7014e-06 1.V201 HG12 = -0.390(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7014e-06 1.V201 HG13 = -0.390(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7014e-06 1.L216 HB2 = -0.802(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.3018e-12 1.R220 H = 6.202(S), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3482e-04 1.C231 HB2 = 1.345(S), Expected = 2.96, Std = 0.4400, ChiSquare = 2.4212e-04 1.Q233 HA = 6.157(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7977e-05 1.A237 HA = 2.114(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.0756e-06 1.A237 HB1 = 0.357(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.3387e-04 1.A237 HB2 = 0.357(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.3387e-04 1.A237 HB3 = 0.357(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.3387e-04