Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.010 CA :: 58.770 CB :: 63.887 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.466 HB2 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.132 CA :: 45.380 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.392 HA2 :: 3.956 HA3 :: 3.956 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.589 Ave N Shift Values>> N :: 109.91(4.29) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 177.784 CA :: 55.343 CB :: 42.385 CG :: 26.964 CD1 :: 24.606 CD2 :: 23.420 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.090 HA :: 4.398 HB2 :: 1.636 HB3 :: 1.575 HG :: 1.593 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.493 Ave N Shift Values>> N :: 121.98(4.07) 1.T9 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 :: 174.557 CA :: 61.984 CB :: 69.915 CG2 :: 21.679 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.135 HA :: 4.322 HB :: 4.221 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.789 Ave N Shift Values>> N :: 115.7(5.05) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.12 M 0.09 R 0.04 C Shift Assignments>> C :: 175.855 CA :: 56.023 CB :: 29.509 CG :: 33.851 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.401 HA :: 4.308 HB2 :: 2.082 HB3 :: 1.983 HG2 :: 2.342 HG3 :: 2.342 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.512 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.11 M 0.07 R 0.05 C Shift Assignments>> C :: 176.079 CA :: 56.069 CB :: 29.281 CG :: 33.770 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.376 HA :: 4.312 HB2 :: 2.082 HB3 :: 1.976 HG2 :: 2.346 HG3 :: 2.346 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.447 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.875 CA :: 58.402 CB :: 63.687 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.447 HA :: 4.476 HB2 :: 3.873 HB3 :: 3.873 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.898 Ave N Shift Values>> N :: 116.3(3.95) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.973 CA :: 61.699 CB :: 38.634 CG1 :: 27.449 CG2 :: 17.535 CD1 :: 13.139 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.240 HA :: 4.164 HB :: 1.880 HG12 :: 1.464 HG13 :: 1.191 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.952 Ave N Shift Values>> N :: 121.6(4.72) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.004 CA :: 45.420 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.445 HA2 :: 3.957 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.602 Ave N Shift Values>> N :: 109.91(4.29) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.27 C 0.04 L 0.03 C Shift Assignments>> C :: 179.170 CA :: 53.454 CB :: 20.025 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.938 HA :: 4.291 HB1 :: 1.216 HB2 :: 1.216 HB3 :: 1.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.921 Ave N Shift Values>> N :: 123.23(3.7) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.01 C Shift Assignments>> C :: 178.021 CA :: 52.923 CB :: 18.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.250 HA :: 4.428 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.429 Ave N Shift Values>> N :: 123.23(3.7) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.017 CA :: 45.618 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.003 HA2 :: 4.194 HA3 :: 3.744 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.512 Ave N Shift Values>> N :: 109.91(4.29) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.013 CA :: 57.645 CB :: 64.233 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.723 HA :: 4.436 HB2 :: 3.927 HB3 :: 3.927 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.696 Ave N Shift Values>> N :: 116.3(3.95) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.18 E 0.15 M 0.13 R 0.01 HN Overlap>> 1.A26 1.Y74 1.A26 1.Y74 C Shift Assignments>> C :: 174.929 CA :: 54.804 CB :: 29.889 CG :: 34.357 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.340 HA :: 4.401 HB2 :: 1.956 HB3 :: 1.671 HG2 :: 2.008 HG3 :: 2.008 HE21 :: 7.347 HE22 :: 6.771 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.940 NE2 :: 111.356 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> C :: 175.944 CA :: 56.481 CB :: 33.098 CG :: 24.758 CD :: 29.104 CE :: 42.126 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.099 HA :: 4.168 HB2 :: 1.610 HB3 :: 1.610 HG2 :: 1.380 HG3 :: 1.335 HD2 :: 1.608 HD3 :: 1.608 HE2 :: 2.933 HE3 :: 2.933 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.479 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 M 0.12 I 0.04 K 0.01 C Shift Assignments>> C :: 177.700 CA :: 56.609 CB :: 31.334 CG :: 37.170 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.550 HA :: 4.418 HB2 :: 2.269 HB3 :: 1.917 HG2 :: 2.348 HG3 :: 2.107 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.009 Ave N Shift Values>> N :: 120.68(3.68) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 171.935 CA :: 43.493 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.391 HA2 :: 4.408 HA3 :: 4.214 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.847 Ave N Shift Values>> N :: 109.91(4.29) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 174.188 CA :: 62.369 CB :: 32.731 CG :: 27.237 CD :: 48.974 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.481 HB2 :: 2.370 HB3 :: 1.910 HG2 :: 2.015 HG3 :: 1.607 HD2 :: 3.721 HD3 :: 3.535 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.11 I 0.11 Q 0.06 M 0.03 C Shift Assignments>> C :: 177.901 CA :: 58.340 CB :: 29.356 CG :: 35.936 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.362 HA :: 4.060 HB2 :: 2.043 HB3 :: 1.917 HG2 :: 2.313 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.209 Ave N Shift Values>> N :: 120.68(3.68) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 173.824 CA :: 45.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.625 HA2 :: 4.353 HA3 :: 3.810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.106 Ave N Shift Values>> N :: 109.91(4.29) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.1 C 0.05 L 0.04 HN Overlap>> 1.Y74 1.Q19 1.Y74 1.Q19 C Shift Assignments>> C :: 174.497 CA :: 50.795 CB :: 20.855 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.346 HA :: 4.626 HB1 :: 1.119 HB2 :: 1.119 HB3 :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.959 Ave N Shift Values>> N :: 123.23(3.7) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.12 C 0.1 N 0.08 R 0.07 F 0.05 Y 0.04 C Shift Assignments>> C :: 173.293 CA :: 53.381 CB :: 41.857 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.353 HA :: 5.075 HB2 :: 2.898 HB3 :: 2.455 HD21 :: 7.716 HD22 :: 6.535 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.184 ND2 :: 117.101 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.24 L 0.22 C Shift Assignments>> C :: 175.331 CA :: 53.761 CB :: 45.993 CG :: 26.629 CD1 :: 26.668 CD2 :: 25.356 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.320 HA :: 5.081 HB2 :: 1.556 HB3 :: 1.049 HG :: 1.429 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.770 Ave N Shift Values>> N :: 121.98(4.07) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.29 G 0.12 C Shift Assignments>> C :: 174.594 CA :: 56.511 CB :: 43.320 CD1 :: 131.415 CD2 :: 131.415 CE1 :: 131.130 CE2 :: 131.130 CZ :: 129.481 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.047 HA :: 5.479 HB2 :: 2.860 HB3 :: 2.860 HD1 :: 7.452 HD2 :: 7.452 HE1 :: 7.364 HE2 :: 7.364 HZ :: 7.227 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.954 Ave N Shift Values>> N :: 120.69(4.18) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.06 V 0.03 C Shift Assignments>> C :: 174.442 CA :: 59.670 CB :: 40.857 CG1 :: 29.934 CG2 :: 21.363 CD1 :: 16.226 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.524 HA :: 5.015 HB :: 1.395 HG12 :: 1.071 HG13 :: 1.052 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 HD11 :: 0.228 HD12 :: 0.228 HD13 :: 0.228 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.200 Ave N Shift Values>> N :: 121.6(4.72) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.527 CA :: 56.733 CB :: 40.893 CD1 :: 133.251 CD2 :: 133.251 CE1 :: 117.862 CE2 :: 117.862 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.457 HA :: 4.967 HB2 :: 2.660 HB3 :: 2.437 HD1 :: 6.859 HD2 :: 6.859 HE1 :: 6.324 HE2 :: 6.324 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.296 Ave N Shift Values>> N :: 120.79(4.69) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 H 0.49 C Shift Assignments>> C :: 174.011 CA :: 55.909 CB :: 26.578 CD2 :: 122.362 CE1 :: 138.363 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.544 HA :: 4.457 HB2 :: 3.995 HB3 :: 3.036 HD2 :: 7.062 HE1 :: 7.884 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 112.360 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.25 R 0.12 A 0.04 G 0.04 C Shift Assignments>> C :: 175.358 CA :: 52.857 CB :: 42.384 CG :: 27.090 CD1 :: 23.578 CD2 :: 26.758 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.510 HA :: 3.983 HB2 :: 1.077 HB3 :: 1.077 HG :: 1.410 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.661 HD22 :: 0.661 HD23 :: 0.661 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.419 Ave N Shift Values>> N :: 121.98(4.07) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.818 CA :: 62.778 CB :: 32.401 CG :: 28.346 CD :: 49.562 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.353 HB2 :: 2.432 HB3 :: 1.558 HG2 :: 1.735 HG3 :: 1.487 HD2 :: 3.337 HD3 :: 2.360 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.21 E 0.15 R 0.04 I 0.04 M 0.03 C Shift Assignments>> C :: 175.909 CA :: 59.036 CB :: 28.990 CG :: 34.129 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.058 HA :: 4.148 HB2 :: 2.158 HB3 :: 2.048 HG2 :: 2.487 HG3 :: 2.378 HE21 :: 7.637 HE22 :: 7.020 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.575 NE2 :: 113.049 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 K 0.12 I 0.1 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.865 CA :: 57.054 CB :: 28.620 CG :: 36.349 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.076 HA :: 4.340 HB2 :: 2.161 HB3 :: 2.092 HG2 :: 2.357 HG3 :: 2.357 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.528 Ave N Shift Values>> N :: 120.68(3.68) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 176.837 CA :: 58.598 CB :: 39.981 CD1 :: 130.112 CD2 :: 130.112 CE1 :: 132.005 CE2 :: 132.005 CZ :: 130.237 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.594 HA :: 4.585 HB2 :: 3.374 HB3 :: 2.866 HD1 :: 7.025 HD2 :: 7.025 HE1 :: 7.351 HE2 :: 7.351 HZ :: 7.353 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.530 Ave N Shift Values>> N :: 120.69(4.18) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.08 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 174.638 CA :: 43.428 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.552 HA2 :: 4.632 HA3 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.091 Ave N Shift Values>> N :: 109.91(4.29) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 C 0.16 K 0.14 L 0.08 I 0.08 D 0.04 R 0.03 C Shift Assignments>> C :: 178.175 CA :: 58.616 CB :: 40.937 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.559 HA :: 3.956 HB2 :: 2.709 HB3 :: 2.544 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.342 Ave N Shift Values>> N :: 120.73(4.2) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.23 R 0.11 E 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 178.136 CA :: 58.617 CB :: 27.758 CG :: 33.614 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.678 HA :: 3.894 HB2 :: 2.003 HB3 :: 1.976 HG2 :: 2.348 HG3 :: 2.348 HE21 :: 7.516 HE22 :: 6.771 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.731 NE2 :: 111.553 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.23 F 0.22 C 0.18 D 0.12 L 0.07 I 0.05 N 0.05 K 0.02 E 0.01 C Shift Assignments>> C :: 178.215 CA :: 56.788 CB :: 39.643 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.058 HA :: 3.971 HB2 :: 1.868 HB3 :: 1.106(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.318 Ave N Shift Values>> N :: 120.73(4.2) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.34 R 0.22 G 0.03 K 0.01 C Shift Assignments>> C :: 177.755 CA :: 57.787 CB :: 42.616 CG :: 26.466 CD1 :: 24.997 CD2 :: 27.194 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.727 HA :: 4.155 HB2 :: 1.873 HB3 :: 1.252 HG :: 1.361 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 HD21 :: 0.605 HD22 :: 0.605 HD23 :: 0.605 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.653 Ave N Shift Values>> N :: 121.98(4.07) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.35 R 0.14 G 0.01 K 0.01 C Shift Assignments>> C :: 178.404 CA :: 58.855 CB :: 42.135 CG :: 27.134 CD1 :: 26.242 CD2 :: 24.168 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.229 HA :: 3.741 HB2 :: 1.959 HB3 :: 1.454 HG :: 1.509 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.739 Ave N Shift Values>> N :: 121.98(4.07) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.13 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.290 CA :: 58.992 CB :: 28.410 CG :: 34.115 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.014 HA :: 3.954 HB2 :: 2.112 HB3 :: 2.112 HG2 :: 2.484 HG3 :: 2.410 HE21 :: 7.340 HE22 :: 6.812 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.530 NE2 :: 111.520 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.44 I 0.02 A 0.02 C Shift Assignments>> C :: 175.828 CA :: 58.214 CB :: 34.392 CG :: 32.213 CE :: 18.221 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.563 HA :: 3.972 HB2 :: 2.320 HB3 :: 2.143 HG2 :: 2.226 HG3 :: 1.885 HE1 :: 2.055 HE2 :: 2.055 HE3 :: 2.055 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.239 Ave N Shift Values>> N :: 120.1(3.88) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 177.609 CA :: 60.287 CB :: 38.856 CD1 :: 132.124 CD2 :: 132.124 CE1 :: 130.374 CE2 :: 130.374 CZ :: 128.391 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.588 HA :: 4.739 HB2 :: 3.580 HB3 :: 2.609 HD1 :: 7.882 HD2 :: 7.882 HE1 :: 6.959 HE2 :: 6.959 HZ :: 6.883 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.888 Ave N Shift Values>> N :: 120.69(4.18) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.46 C Shift Assignments>> C :: 174.166 CA :: 59.580 CB :: 32.180 CG :: 32.105 CE :: 16.400 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.441 HA :: 4.663 HB2 :: 2.244 HB3 :: 2.185 HG2 :: 2.758 HG3 :: 2.758 HE1 :: 2.088 HE2 :: 2.088 HE3 :: 2.088 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.705 Ave N Shift Values>> N :: 120.1(3.88) 1.P48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.61 C 0.37 C Shift Assignments>> C :: 177.191 CA :: 65.645 CB :: 31.103 CG :: 27.927 CD :: 51.644 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.066 HB2 :: 1.884 HB3 :: 0.139(S) HG2 :: 1.635 HG3 :: 1.593 HD2 :: 3.594 HD3 :: 2.866 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 174.994 CA :: 58.230 CB :: 38.445 CD1 :: 131.101 CD2 :: 131.101 CE1 :: 131.862 CE2 :: 131.862 CZ :: 129.671 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.568 HA :: 4.322 HB2 :: 3.381 HB3 :: 2.791 HD1 :: 7.267 HD2 :: 7.267 HE1 :: 7.198 HE2 :: 7.198 HZ :: 7.142 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 110.079 Ave N Shift Values>> N :: 120.69(4.18) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 170.405 CA :: 44.877 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.657 HA2 :: 4.195 HA3 :: 3.884 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.870 Ave N Shift Values>> N :: 109.91(4.29) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.22 D 0.08 Y 0.07 F 0.04 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 173.618 CA :: 53.098 CB :: 37.600 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.000 HA :: 4.681 HB2 :: 2.785 HB3 :: 2.785 HD21 :: 7.858 HD22 :: 6.825 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.372 ND2 :: 113.579 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.273 CA :: 62.599 CB :: 32.251 CG1 :: 22.534 CG2 :: 23.159 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.310 HA :: 3.723 HB :: 1.764 HG11 :: 0.710 HG12 :: 0.710 HG13 :: 0.710 HG21 :: 0.556 HG22 :: 0.556 HG23 :: 0.556 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.261 Ave N Shift Values>> N :: 121.02(4.96) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.405 CA :: 64.162 CB :: 31.853 CG1 :: 21.065 CG2 :: 20.890 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.932 HA :: 3.713 HB :: 1.862 HG11 :: 0.700 HG12 :: 0.700 HG13 :: 0.700 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.896 Ave N Shift Values>> N :: 121.02(4.96) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 171.143 CA :: 57.735 CB :: 66.486 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.180 HA :: 4.743 HB2 :: 3.797 HB3 :: 3.705 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.745 Ave N Shift Values>> N :: 116.3(3.95) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.13 L 0.09 C 0.07 C Shift Assignments>> C :: 174.579 CA :: 51.360 CB :: 21.211 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.808 HA :: 5.089 HB1 :: 1.061 HB2 :: 1.061 HB3 :: 1.061 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.497 Ave N Shift Values>> N :: 123.23(3.7) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.27 R 0.17 G 0.02 M 0.01 C Shift Assignments>> C :: 173.638 CA :: 54.178 CB :: 36.615 CG :: 24.461 CD :: 28.865 CE :: 42.268 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.835 HA :: 4.531 HB2 :: 1.577 HB3 :: 1.325 HG2 :: 0.809 HG3 :: 0.754 HD2 :: 1.502 HD3 :: 1.284 HE2 :: 2.773 HE3 :: 2.773 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.934 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.863 CA :: 62.321 CB :: 33.217 CG1 :: 23.365 CG2 :: 21.364 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.746 HA :: 3.899 HB :: 1.845 HG11 :: 0.721 HG12 :: 0.721 HG13 :: 0.721 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.630 Ave N Shift Values>> N :: 121.02(4.96) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 174.029 CA :: 59.099 CB :: 39.035 CD1 :: 132.067 CD2 :: 132.067 CE1 :: 130.619 CE2 :: 130.619 CZ :: 129.041 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.226 HA :: 4.427 HB2 :: 2.769 HB3 :: 2.080 HD1 :: 6.650 HD2 :: 6.650 HE1 :: 7.081 HE2 :: 7.081 HZ :: 7.085 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.997 Ave N Shift Values>> N :: 120.69(4.18) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 A 0.01 C Shift Assignments>> C :: 176.176 CA :: 58.724 CB :: 40.311 CG1 :: 26.856 CG2 :: 17.026 CD1 :: 11.576 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.311 HA :: 4.507 HB :: 1.730 HG12 :: 1.334 HG13 :: 1.334 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.292 Ave N Shift Values>> N :: 121.6(4.72) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 R 0.16 K 0.11 C 0.1 F 0.04 Y 0.03 N 0.03 G 0.02 C Shift Assignments>> C :: 176.776 CA :: 54.011 CB :: 42.618 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.701 HA :: 4.644 HB2 :: 3.293 HB3 :: 2.458 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.266 Ave N Shift Values>> N :: 120.73(4.2) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 177.516 CA :: 58.244 CB :: 32.344 CG :: 24.998 CD :: 28.981 CE :: 42.152 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.872 HA :: 4.110 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.529 HG3 :: 1.529 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.037 HE3 :: 3.037 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.452 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 K 0.2 E 0.19 M 0.04 I 0.03 R 0.02 C Shift Assignments>> C :: 177.753 CA :: 58.096 CB :: 29.293 CG :: 34.481 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.675 HA :: 4.279 HB2 :: 2.257 HB3 :: 2.193 HG2 :: 2.436 HG3 :: 2.378 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.096 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T63 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 :: 175.614 CA :: 61.613 CB :: 70.762 CG2 :: 21.409 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.778 HA :: 4.320 HB :: 4.320 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.073 Ave N Shift Values>> N :: 115.7(5.05) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.23 Y 0.16 F 0.11 D 0.1 E 0.07 L 0.02 I 0.02 M 0.02 C Shift Assignments>> C :: 173.800 CA :: 55.011 CB :: 38.095 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.486 HA :: 4.307 HB2 :: 3.106 HB3 :: 2.843 HD21 :: 7.461 HD22 :: 6.744 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.987 ND2 :: 112.288 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.22 C 0.17 A 0.05 R 0.02 C Shift Assignments>> C :: 177.121 CA :: 53.653 CB :: 44.044 CG :: 26.356 CD1 :: 25.009 CD2 :: 22.980 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.638 HA :: 4.628 HB2 :: 1.698 HB3 :: 1.428 HG :: 1.586 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.884 Ave N Shift Values>> N :: 121.98(4.07) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.086 CA :: 58.608 CB :: 63.733 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.741 HA :: 4.508 HB2 :: 4.150 HB3 :: 3.998 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.145 Ave N Shift Values>> N :: 116.3(3.95) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.33 R 0.28 M 0.01 HN Overlap>> 1.K105 1.K105 C Shift Assignments>> CA :: 56.875 CB :: 33.027 CG :: 26.185 CD :: 29.560 CE :: 42.044 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.279 HA :: 4.547 HB2 :: 2.319 HB3 :: 1.676 HG2 :: 1.542 HG3 :: 1.542 HD2 :: 1.831 HD3 :: 1.715 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.409 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.17 K 0.14 R 0.07 V 0.07 P 0.05 L 0.04 T 0.02 Q 0.01 C Shift Assignments>> C :: 176.546 CA :: 60.903 CB :: 25.009 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.208 HA :: 3.632 HB2 :: 3.568 HB3 :: 3.511 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.992 Ave N Shift Values>> N :: 119.95(4.79) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.36 G 0.06 C Shift Assignments>> C :: 172.714 CA :: 55.119 CB :: 42.732 CD1 :: 132.490 CD2 :: 132.490 CE1 :: 131.281 CE2 :: 131.281 CZ :: 129.615 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.676 HA :: 5.456 HB2 :: 3.199 HB3 :: 3.199 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 6.891 HE2 :: 6.891 HZ :: 6.761 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.132 Ave N Shift Values>> N :: 120.69(4.18) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 170.110 CA :: 45.618 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.326 HA2 :: 4.671 HA3 :: 3.538 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.035 Ave N Shift Values>> N :: 109.91(4.29) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 F 0.37 C 0.24 C Shift Assignments>> C :: 173.185 CA :: 55.329 CB :: 44.220 CD1 :: 131.916 CD2 :: 131.916 CE1 :: 130.513 CE2 :: 130.513 CZ :: 129.692 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.884 HA :: 5.480 HB2 :: 3.051 HB3 :: 2.580 HD1 :: 6.730 HD2 :: 6.730 HE1 :: 6.890 HE2 :: 6.890 HZ :: 7.133 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.762 Ave N Shift Values>> N :: 120.69(4.18) 1.V72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 V 0.23 I 0.01 C Shift Assignments>> C :: 172.608 CA :: 59.886 CB :: 36.777 CG1 :: 22.168 CG2 :: 21.060 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.812 HA :: 4.333 HB :: 0.904(S) HG11 :: 0.176 HG12 :: 0.176 HG13 :: 0.176 HG21 :: 0.172 HG22 :: 0.172 HG23 :: 0.172 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.971 Ave N Shift Values>> N :: 121.02(4.96) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 T 0.44 C Shift Assignments>> C :: 174.014 CA :: 55.062 CB :: 67.421 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.440 HA :: 5.259 HB2 :: 4.013 HB3 :: 3.747 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.474 Ave N Shift Values>> N :: 116.3(3.95) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.34 G 0.15 HN Overlap>> 1.A26 1.A26 1.Q19 1.Q19 C Shift Assignments>> C :: 174.073 CA :: 56.920 CB :: 43.410 CD1 :: 132.085 CD2 :: 132.085 CE1 :: 118.131 CE2 :: 118.131 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.334 HA :: 5.394 HB2 :: 3.410 HB3 :: 2.765 HD1 :: 6.731 HD2 :: 6.731 HE1 :: 6.501 HE2 :: 6.501 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.866 Ave N Shift Values>> N :: 120.79(4.69) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.21 L 0.13 C 0.11 F 0.06 Y 0.06 K 0.05 C Shift Assignments>> C :: 176.688 CA :: 53.187 CB :: 40.618 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.856 HA :: 4.532 HB2 :: 3.171 HB3 :: 2.432 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.552 Ave N Shift Values>> N :: 120.73(4.2) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.16 C 0.14 K 0.05 F 0.03 R 0.02 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.406 CA :: 51.238 CB :: 41.544 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.210 HA :: 5.097 HB2 :: 2.927 HB3 :: 2.879 HD21 :: 7.997 HD22 :: 7.264 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.990 ND2 :: 114.813 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 177.637 CA :: 64.662 CB :: 32.802 CG :: 27.487 CD :: 51.598 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.206 HB2 :: 2.257 HB3 :: 2.115 HG2 :: 2.164 HG3 :: 2.047 HD2 :: 4.070 HD3 :: 3.570 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.536 CA :: 66.457 CB :: 31.336 CG1 :: 22.393 CG2 :: 21.097 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.056 HA :: 3.680 HB :: 2.089 HG11 :: 1.025 HG12 :: 1.025 HG13 :: 1.025 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.099 Ave N Shift Values>> N :: 121.02(4.96) 1.S79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.024 CA :: 61.554 CB :: 62.912 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.848 HA :: 3.988 HB2 :: 3.207 HB3 :: 2.839(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.910 Ave N Shift Values>> N :: 116.3(3.95) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 178.524 CA :: 54.945 CB :: 18.376 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.349 HA :: 3.795 HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.098 Ave N Shift Values>> N :: 123.23(3.7) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.23 R 0.11 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 178.459 CA :: 58.634 CB :: 27.835 CG :: 33.543 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.730 HA :: 3.885 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.492 HG3 :: 2.492 HE21 :: 7.800 HE22 :: 6.810 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.011 NE2 :: 112.165 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 179.859 CA :: 54.962 CB :: 17.960 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.800 HA :: 4.050 HB1 :: 1.587 HB2 :: 1.587 HB3 :: 1.587 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.033 Ave N Shift Values>> N :: 123.23(3.7) 1.A83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.01 C Shift Assignments>> C :: 179.900 CA :: 54.678 CB :: 18.876 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.845 HA :: 2.347(S) HB1 :: 1.424 HB2 :: 1.424 HB3 :: 1.424 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.773 Ave N Shift Values>> N :: 123.23(3.7) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.995 CA :: 66.474 CB :: 38.644 CG1 :: 30.336 CG2 :: 17.551 CD1 :: 14.221 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.071 HA :: 3.280 HB :: 1.795 HG12 :: 1.776 HG13 :: 0.681 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.566 Ave N Shift Values>> N :: 121.6(4.72) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.1 R 0.07 I 0.02 M 0.02 C Shift Assignments>> C :: 178.613 CA :: 58.724 CB :: 28.410 CG :: 33.848 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.841 HA :: 3.965 HB2 :: 2.125 HB3 :: 2.125 HG2 :: 2.464 HG3 :: 2.464 HE21 :: 7.478 HE22 :: 6.863 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.799 NE2 :: 112.021 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.615 CA :: 61.587 CB :: 64.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.536 HA :: 4.448 HB2 :: 3.681 HB3 :: 3.490 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.691 Ave N Shift Values>> N :: 116.3(3.95) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.35 A 0.13 C Shift Assignments>> C :: 177.859 CA :: 53.837 CB :: 31.472 CG :: 32.352 CE :: 15.730 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.318 HA :: 4.915 HB2 :: 2.064 HB3 :: 1.853 HG2 :: 1.964 HG3 :: 1.881 HE1 :: 1.147 HE2 :: 1.147 HE3 :: 1.147 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.353 Ave N Shift Values>> N :: 120.1(3.88) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.2 D 0.09 N 0.08 I 0.05 E 0.05 L 0.04 C Shift Assignments>> C :: 176.678 CA :: 56.519 CB :: 38.751 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.367 HA :: 4.537 HB2 :: 3.117 HB3 :: 2.984 HD21 :: 7.891 HD22 :: 7.057 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.768 ND2 :: 114.646 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.173 CA :: 45.695 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.998 HA2 :: 4.394 HA3 :: 3.673 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.146 Ave N Shift Values>> N :: 109.91(4.29) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 174.811 CA :: 59.321 CB :: 41.098 CD1 :: 131.990 CD2 :: 131.990 CE1 :: 131.257 CE2 :: 131.257 CZ :: 129.728 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.935 HA :: 4.265 HB2 :: 3.348 HB3 :: 3.000 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 7.312 HE2 :: 7.312 HZ :: 7.316 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.339 Ave N Shift Values>> N :: 120.69(4.18) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.08 M 0.07 R 0.06 C Shift Assignments>> C :: 174.346 CA :: 55.804 CB :: 29.126 CG :: 33.552 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.032 HA :: 4.655 HB2 :: 1.825 HB3 :: 1.717 HG2 :: 2.091 HG3 :: 2.091 HE21 :: 7.394 HE22 :: 6.657 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.571 NE2 :: 110.801 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 HN Overlap>> 1.R103 1.R103 C Shift Assignments>> C :: 175.579 CA :: 60.088 CB :: 39.723 CG1 :: 27.853 CG2 :: 16.727 CD1 :: 14.797 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.486 HA :: 4.225 HB :: 1.757 HG12 :: 1.581 HG13 :: 1.098 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.294 Ave N Shift Values>> N :: 121.6(4.72) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 175.206 CA :: 46.975 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.960 HA2 :: 3.922 HA3 :: 3.668 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.743 Ave N Shift Values>> N :: 109.91(4.29) 1.M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.38 A 0.13 C Shift Assignments>> C :: 176.056 CA :: 55.454 CB :: 32.226 CG :: 32.334 CE :: 16.868 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.953 HA :: 4.438 HB2 :: 2.269 HB3 :: 2.004 HG2 :: 2.655 HG3 :: 2.521 HE1 :: 2.078 HE2 :: 2.078 HE3 :: 2.078 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.051 Ave N Shift Values>> N :: 120.1(3.88) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.24 G 0.01 C Shift Assignments>> C :: 174.668 CA :: 55.102 CB :: 35.328 CG :: 25.384 CD :: 28.992 CE :: 42.339 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.860 HA :: 4.560 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 1.359 HG3 :: 1.286 HD2 :: 1.453 HD3 :: 1.453 HE2 :: 2.930 HE3 :: 2.864 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.608 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.33 K 0.17 G 0.09 C Shift Assignments>> C :: 176.092 CA :: 54.420 CB :: 31.935 CG :: 28.117 CD :: 43.464 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.107 HA :: 4.870 HB2 :: 1.585 HB3 :: 1.398 HG2 :: 1.524 HG3 :: 1.283 HD2 :: 3.169 HD3 :: 3.117 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.439 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 R 0.14 G 0.09 C Shift Assignments>> C :: 178.274 CA :: 55.869 CB :: 43.368 CG :: 26.935 CD1 :: 23.856 CD2 :: 26.117 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.079 HA :: 4.552 HB2 :: 2.289 HB3 :: 1.427 HG :: 2.099 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.973 HD22 :: 0.973 HD23 :: 0.973 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.504 Ave N Shift Values>> N :: 121.98(4.07) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.01 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 174.480 CA :: 54.929 CB :: 35.115 CG :: 24.990 CD :: 29.216 CE :: 41.945 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.093 HA :: 5.208 HB2 :: 1.763 HB3 :: 1.763 HG2 :: 1.555 HG3 :: 1.289 HD2 :: 1.693 HD3 :: 1.587 HE2 :: 2.830 HE3 :: 2.830 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.488 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 174.013 CA :: 61.338 CB :: 34.126 CG1 :: 23.561 CG2 :: 21.750 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.770 HA :: 4.946 HB :: 1.873 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.988 Ave N Shift Values>> N :: 121.02(4.96) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.41 Q 0.04 E 0.03 C Shift Assignments>> C :: 173.981 CA :: 53.627 CB :: 33.972 CG :: 33.717 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.146 HA :: 4.854 HB2 :: 2.236 HB3 :: 2.099 HG2 :: 2.422 HG3 :: 2.382 HE21 :: 7.663 HE22 :: 6.860 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.707 NE2 :: 111.747 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.27 R 0.09 G 0.04 C Shift Assignments>> C :: 177.664 CA :: 55.610 CB :: 42.820 CG :: 26.802 CD1 :: 25.330 CD2 :: 24.142 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.735 HA :: 4.523 HB2 :: 1.594 HB3 :: 1.594 HG :: 1.659 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.051 Ave N Shift Values>> N :: 121.98(4.07) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.2 M 0.04 C Shift Assignments>> C :: 175.657 CA :: 56.644 CB :: 33.626 CG :: 25.017 CD :: 30.001 CE :: 41.985 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.442 HA :: 4.304 HB2 :: 1.598 HB3 :: 1.267 HG2 :: 1.323 HG3 :: 1.323 HD2 :: 1.454 HD3 :: 1.378 HE2 :: 2.868 HE3 :: 2.868 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.766 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.13 G 0.08 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> C :: 176.188 CA :: 55.983 CB :: 31.356 CG :: 27.344 CD :: 43.468 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.583 HA :: 4.453 HB2 :: 1.863 HB3 :: 1.751 HG2 :: 1.640 HG3 :: 1.640 HD2 :: 3.202 HD3 :: 3.202 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.315 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.196 CA :: 58.353 CB :: 64.040 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.642 HA :: 4.445 HB2 :: 3.877 HB3 :: 3.877 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.571 Ave N Shift Values>> N :: 116.3(3.95) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.03 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 176.537 CA :: 56.795 CB :: 32.993 CG :: 24.609 CD :: 29.172 CE :: 42.150 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.284 HA :: 4.285 HB2 :: 1.817 HB3 :: 1.757 HG2 :: 1.406 HG3 :: 1.406 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.383 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.19 C 0.16 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.916 CA :: 53.348 CB :: 38.885 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.690 HB2 :: 2.821 HB3 :: 2.698 HD21 :: 7.592 HD22 :: 6.918 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.023 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.04 C Shift Assignments>> C :: 176.395 CA :: 54.381 CB :: 41.302 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.222 HA :: 4.609 HB2 :: 2.678 HB3 :: 2.678 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.148 Ave N Shift Values>> N :: 120.73(4.2) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S110 1.S110 C Shift Assignments>> C :: 174.810 CA :: 58.807 CB :: 63.674 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.264 HA :: 4.381 HB2 :: 3.877 HB3 :: 3.877 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.293 Ave N Shift Values>> N :: 116.3(3.95) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 176.699 CA :: 56.483 CB :: 32.736 CG :: 24.731 CD :: 29.074 CE :: 42.041 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.347 HA :: 4.360 HB2 :: 1.874 HB3 :: 1.773 HG2 :: 1.442 HG3 :: 1.402 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.789 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S108 1.S108 C Shift Assignments>> C :: 174.477 CA :: 58.392 CB :: 64.250 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.222 HA :: 4.454 HB2 :: 3.757 HB3 :: 3.757 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.352 Ave N Shift Values>> N :: 116.3(3.95) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.783 CA :: 44.686 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.179 HA2 :: 4.097 HA3 :: 4.097 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.596 Ave N Shift Values>> N :: 109.91(4.29) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.297 CB :: 32.197 CG :: 27.106 CD :: 49.778 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.447 HB2 :: 2.253 HB3 :: 1.951 HG2 :: 1.978 HG3 :: 1.978 HD2 :: 3.606 HD3 :: 3.574 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 0 C Shift Results: #Consistent: 474 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 744 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 114 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D41 HB3 = 1.106(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.8729e-08 1.P48 HB3 = 0.139(S), Expected = 2.05, Std = 0.3900, ChiSquare = 9.5837e-07 1.V72 HB = 0.904(S), Expected = 1.99, Std = 0.3300, ChiSquare = 9.9864e-04 1.S79 HB3 = 2.839(S), Expected = 3.87, Std = 0.3100, ChiSquare = 8.8163e-04 1.A83 HA = 2.347(S), Expected = 4.26, Std = 0.4200, ChiSquare = 5.2445e-06