Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 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.Y3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.42 Q 0.08 E 0.03 C Shift Assignments>> C :: 175.296 CA :: 54.340 CB :: 33.593 CG :: 33.318 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 :: 8.544 HA :: 4.840 HB2 :: 2.096 HB3 :: 2.005 HG2 :: 2.647 HG3 :: 2.589 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 :: 125.416 Ave N Shift Values>> N :: 120.1(3.88) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.48 S 0.01 C Shift Assignments>> C :: 178.055 CA :: 64.258 CB :: 33.274 CG :: 28.583 CD :: 51.880 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 :: 4.518 HB2 :: 2.342 HB3 :: 1.986 HG2 :: 2.054 HG3 :: 2.054 HD2 :: 3.854 HD3 :: 3.749 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.V18 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 :: 176.321 CA :: 64.292 CB :: 33.466 CG1 :: 21.123 CG2 :: 21.960 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 :: 8.315 HA :: 4.002 HB :: 2.037 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 121.984 Ave N Shift Values>> N :: 121.02(4.96) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.18 R 0.15 K 0.14 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 HN Overlap>> 1.L83 1.L83 C Shift Assignments>> C :: 177.905 CA :: 54.472 CB :: 42.414 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 :: 8.396 HA :: 4.759 HB2 :: 2.905 HB3 :: 2.832 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 :: 125.897 Ave N Shift Values>> N :: 120.73(4.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 C 0.3 L 0.27 G 0.07 K 0.02 C Shift Assignments>> C :: 178.780 CA :: 56.747 CB :: 43.280 CG :: 28.032 CD1 :: 24.629 CD2 :: 26.777 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 :: 8.728 HA :: 4.394 HB2 :: 1.740 HB3 :: 1.625 HG :: 1.595 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.613 HD22 :: 0.613 HD23 :: 0.613 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 :: 123.687 Ave N Shift Values>> N :: 121.98(4.07) 1.S21 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 :: 177.532 CA :: 62.806 CB :: 63.753 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.568 HA :: 4.298 HB2 :: 4.060 HB3 :: 4.060 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 :: 116.763 Ave N Shift Values>> N :: 116.3(3.95) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.4 M 0.02 C Shift Assignments>> C :: 178.312 CA :: 57.005 CB :: 32.812 CG :: 26.647 CD :: 29.765 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 :: 7.733 HA :: 4.476 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.590 HG3 :: 1.435 HD2 :: 1.694 HD3 :: 1.694 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 :: 120.294 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 V 0.28 I 0.15 C 0.09 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 175.464 CA :: 63.431 CB :: 30.788 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.442 HA :: 3.839 HB2 :: 3.777 HB3 :: 3.378 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 126.079 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.940 CB :: 64.329 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.760 HA :: 5.279 HB2 :: 4.043 HB3 :: 4.019 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 :: 106.455 Ave N Shift Values>> N :: 116.3(3.95) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.198 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.318 HA2 :: 4.352 HA3 :: 3.913 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.829 Ave N Shift Values>> N :: 109.91(4.29) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 P 0.42 C Shift Assignments>> C :: 179.794 CA :: 66.462 CB :: 33.093 CG :: 28.556 CD :: 51.300 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 :: 4.233 HB2 :: 2.357 HB3 :: 1.828 HG2 :: 2.012 HG3 :: 1.331 HD2 :: 3.894 HD3 :: 3.631 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.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.33 L 0.2 G 0.1 K 0.01 C Shift Assignments>> C :: 177.109 CA :: 58.235 CB :: 43.529 CG :: 28.150 CD1 :: 27.167 CD2 :: 23.730 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 :: 9.137 HA :: 3.873 HB2 :: 1.588 HB3 :: 1.070 HG :: 1.594 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.636 HD22 :: 0.636 HD23 :: 0.636 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 :: 118.364 Ave N Shift Values>> N :: 121.98(4.07) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G131 1.G131 C Shift Assignments>> CA :: 58.787 CB :: 63.751 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.575 HA :: 4.383 HB2 :: 3.827 HB3 :: 3.476 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 :: 112.106 Ave N Shift Values>> N :: 116.3(3.95) 1.L29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 L 0.12 K 0.02 HN Overlap>> 1.Y196 1.Y196 C Shift Assignments>> C :: 179.713 CA :: 58.064 CB :: 38.506 CD1 :: 26.886 CD2 :: 25.018 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 :: 8.131 HA :: 3.481 HB2 :: -0.104(S) HB3 :: -0.283(S) HG :: 1.019 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 HD21 :: 0.468 HD22 :: 0.468 HD23 :: 0.468 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 :: 117.254 Ave N Shift Values>> N :: 121.98(4.07) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.21 Q 0.19 R 0.11 E 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.578 CA :: 58.419 CB :: 26.485 CG :: 33.819 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 :: 9.553 HA :: 4.817 HB2 :: 2.173 HB3 :: 2.173 HG2 :: 2.661 HG3 :: 2.661 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 :: 122.875 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.21 E 0.19 M 0.03 C Shift Assignments>> C :: 177.599 CA :: 59.339 CB :: 31.600 CG :: 38.370 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 :: 7.649 HA :: 4.092 HB2 :: 2.018 HB3 :: 1.875 HG2 :: 2.439 HG3 :: 2.316 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 :: 120.457 Ave N Shift Values>> N :: 120.68(3.68) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.177 CA :: 66.164 CB :: 33.250 CG1 :: 24.379 CG2 :: 22.649 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 :: 8.377 HA :: 3.962 HB :: 2.280 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 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 :: 120.604 Ave N Shift Values>> N :: 121.02(4.96) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.21 R 0.21 C 0.12 D 0.06 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.918 CA :: 54.467 CB :: 44.105 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 :: 8.145 HA :: 4.762 HB2 :: 2.990 HB3 :: 2.609 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 :: 111.939 Ave N Shift Values>> N :: 120.73(4.2) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 E 0.13 M 0.07 I 0.03 C Shift Assignments>> C :: 173.552 CA :: 56.948 CB :: 32.982 CG :: 38.310 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 :: 8.957 HA :: 3.999 HB2 :: 2.026 HB3 :: 1.627 HG2 :: 2.228 HG3 :: 2.170 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 :: 118.777 Ave N Shift Values>> N :: 120.68(3.68) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.11 A 0.1 L 0.1 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> CA :: 54.313 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 :: 7.728 HE22 :: 7.021 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 :: 117.952 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 176.060 CA :: 61.841 CB :: 33.535 CG :: 28.505 CD :: 50.423 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 :: 4.324 HB2 :: 1.346 HB3 :: 1.193 HG2 :: 0.929 HG3 :: 0.880 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.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 M 0.1 Q 0.08 I 0.08 K 0.06 C Shift Assignments>> C :: 177.177 CA :: 59.458 CB :: 30.773 CG :: 35.383 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 :: 6.735 HA :: 3.714 HB2 :: 1.603 HB3 :: 1.603 HG2 :: 2.300 HG3 :: 2.092 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 :: 116.535 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.22 H 0.12 K 0.12 R 0.1 W 0.08 Q 0.05 E 0.04 C Shift Assignments>> CA :: 53.248 CB :: 32.092 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 :: 7.495 HA :: 5.251 HB2 :: 3.693 HB3 :: 2.994 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 :: 113.147 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 P 0.49 S 0.01 C Shift Assignments>> C :: 176.846 CA :: 63.562 CB :: 33.171 CG :: 29.092 CD :: 51.722 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 :: 4.807 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 2.325 HG3 :: 2.325 HD2 :: 4.260 HD3 :: 3.920 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.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.28 R 0.08 L 0.03 C Shift Assignments>> C :: 175.815 CA :: 54.462 CB :: 45.271 CD1 :: 26.643 CD2 :: 28.283 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 :: 7.542 HA :: 4.580 HB2 :: 1.398 HB3 :: 0.814 HG :: 1.249 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 HD21 :: 0.432 HD22 :: 0.432 HD23 :: 0.432 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 :: 124.624 Ave N Shift Values>> N :: 121.98(4.07) 1.H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 K 0.13 E 0.12 W 0.12 C 0.11 R 0.11 M 0.04 I 0.01 L 0.01 C Shift Assignments>> C :: 175.448 CA :: 56.349 CB :: 29.346 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 :: 9.272 HA :: 4.884 HB2 :: 3.177 HB3 :: 3.177 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 :: 126.970 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.4 C Shift Assignments>> C :: 175.076 CA :: 62.721 CB :: 35.997 CG1 :: 22.433 CG2 :: 22.407 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 :: 7.589 HA :: 4.343 HB :: 1.581 HG11 :: 0.191 HG12 :: 0.191 HG13 :: 0.191 HG21 :: 0.199 HG22 :: 0.199 HG23 :: 0.199 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 :: 125.002 Ave N Shift Values>> N :: 121.02(4.96) 1.T43 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 :: 173.383 CA :: 62.778 CB :: 71.866 CG2 :: 22.920 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 :: 8.445 HA :: 4.563 HB :: 3.948 HG21 :: 1.136 HG22 :: 1.136 HG23 :: 1.136 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 :: 122.719 Ave N Shift Values>> N :: 115.7(5.05) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.19 Y 0.15 C 0.13 L 0.12 R 0.06 D 0.06 I 0.04 HN Overlap>> 1.Y121 1.Y121 C Shift Assignments>> C :: 176.035 CA :: 57.923 CB :: 41.393 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 :: 9.000 HA :: 4.552 HB2 :: 3.207 HB3 :: 2.568 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 :: 123.596 Ave N Shift Values>> N :: 120.79(4.69) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.29 I 0.04 C 0.04 V 0.02 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 179.051 CA :: 55.780 CB :: 18.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.423 HA :: 4.116 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.333 Ave N Shift Values>> N :: 123.23(3.7) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 175.001 CA :: 46.498 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.628 HA2 :: 4.288 HA3 :: 3.696 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.156 Ave N Shift Values>> N :: 109.91(4.29) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.14 K 0.14 M 0.08 A 0.05 R 0.02 C Shift Assignments>> C :: 175.728 CA :: 52.762 CB :: 23.569 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.302 HA :: 4.643 HB1 :: 1.234 HB2 :: 1.234 HB3 :: 1.234 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.893 Ave N Shift Values>> N :: 123.23(3.7) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.15 K 0.13 M 0.08 A 0.05 R 0.02 C Shift Assignments>> C :: 177.543 CA :: 52.584 CB :: 23.540 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.659 HA :: 5.057 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.366 Ave N Shift Values>> N :: 123.23(3.7) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.13 K 0.02 C Shift Assignments>> C :: 176.509 CA :: 63.594 CB :: 31.498 CG1 :: 25.734 CG2 :: 23.891 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 :: 8.639 HA :: 4.203 HB :: 2.422 HG11 :: 1.356 HG12 :: 1.356 HG13 :: 1.356 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 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 :: 119.655 Ave N Shift Values>> N :: 121.02(4.96) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.16 C 0.1 F 0.07 R 0.06 Y 0.06 N 0.05 C Shift Assignments>> C :: 175.287 CA :: 54.617 CB :: 41.637 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 :: 8.215 HA :: 4.736 HB2 :: 3.029 HB3 :: 2.504 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 :: 126.393 Ave N Shift Values>> N :: 120.73(4.2) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Q 0.21 M 0.2 K 0.18 W 0.04 H 0.03 R 0.03 V 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 176.149 CA :: 56.307 CB :: 34.052 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 :: 7.468 HA :: 4.535 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 2.298 HG3 :: 2.298 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 :: 116.279 Ave N Shift Values>> N :: 120.68(3.68) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.37 L 0.16 K 0.04 G 0.03 C Shift Assignments>> C :: 178.943 CA :: 58.205 CB :: 42.708 CG :: 28.144 CD1 :: 26.278 CD2 :: 27.103 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 :: 9.077 HA :: 4.290 HB2 :: 1.869 HB3 :: 1.501 HG :: 1.492 HD11 :: 1.175 HD12 :: 1.175 HD13 :: 1.175 HD21 :: 0.999 HD22 :: 0.999 HD23 :: 0.999 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 :: 125.826 Ave N Shift Values>> N :: 121.98(4.07) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 174.136 CA :: 46.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.221 HA2 :: 4.226 HA3 :: 3.350 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.647 Ave N Shift Values>> N :: 109.91(4.29) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 G 0.09 M 0.01 K 0.01 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 176.056 CA :: 58.252 CB :: 36.560 CG :: 26.078 CD :: 32.016 CE :: 43.437 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 :: 7.586 HA :: 4.067 HB2 :: 2.349 HB3 :: 2.014 HG2 :: 1.644 HG3 :: 1.610 HD2 :: 2.081 HD3 :: 2.081 HE2 :: 3.200 HE3 :: 3.200 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 :: 122.489 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.48 P 0.38 C 0.07 I 0.02 W 0.01 C Shift Assignments>> C :: 177.238 CA :: 64.305 CB :: 32.861 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 :: 8.713 HA :: 4.787 HB :: 2.057 HG11 :: 1.078 HG12 :: 1.078 HG13 :: 1.078 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 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 :: 128.650 Ave N Shift Values>> N :: 121.02(4.96) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 G 0.29 L 0.03 C Shift Assignments>> C :: 177.452 CA :: 54.086 CB :: 47.129 CG :: 28.906 CD1 :: 25.240 CD2 :: 27.079 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 :: 9.176 HA :: 4.900 HB2 :: 1.218 HB3 :: 1.198 HG :: 1.542 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.180 HD22 :: 0.180 HD23 :: 0.180 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 :: 130.545 Ave N Shift Values>> N :: 121.98(4.07) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.648 CA :: 59.628 CB :: 69.927 CG2 :: 22.855 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 :: 8.582 HA :: 4.961 HB :: 4.760 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 110.772 Ave N Shift Values>> N :: 115.7(5.05) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.52 P 0.25 I 0.16 C 0.05 C Shift Assignments>> C :: 180.671 CA :: 66.441 CB :: 30.827 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 :: 3.773 HB2 :: 2.374 HB3 :: 2.374 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.T59 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 T 0.26 C Shift Assignments>> C :: 177.465 CA :: 69.516(A) CG2 :: 21.696 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 :: 8.616 HA :: 3.849 HB :: 3.133 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 115.852 Ave N Shift Values>> N :: 115.7(5.05) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.35 I 0.18 M 0.05 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.438 CA :: 59.772 CB :: 30.412 CG :: 36.355 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 :: 7.668 HA :: 3.747 HB2 :: 2.315 HB3 :: 1.337 HG2 :: 2.381 HG3 :: 2.213 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 :: 119.821 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 176.125 CA :: 60.375 CB :: 31.233 CG1 :: 21.143 CG2 :: 19.177 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 :: 6.853 HA :: 4.026 HB :: 2.031 HG11 :: -0.794(S) HG12 :: -0.794(S) HG13 :: -0.794(S) HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 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 :: 109.141 Ave N Shift Values>> N :: 121.02(4.96) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.26 R 0.1 M 0.1 G 0.03 C Shift Assignments>> C :: 176.918 CA :: 59.486 CB :: 32.619 CG :: 23.474 CD :: 30.537 CE :: 42.554 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 :: 6.585 HA :: 4.141 HB2 :: 1.359 HB3 :: 0.952 HG2 :: 1.157 HG3 :: 0.961 HD2 :: 1.096 HD3 :: 1.085 HE2 :: 2.694 HE3 :: 2.525 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 :: 120.718 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 C 0.12 R 0.12 G 0.06 K 0.06 N 0.05 F 0.03 Y 0.02 HN Overlap>> 1.V139 1.V139 C Shift Assignments>> C :: 173.451 CA :: 52.110 CB :: 42.765 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 :: 8.101 HA :: 5.053 HB2 :: 2.772 HB3 :: 2.470 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 :: 119.268 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 D 0.09 H 0.09 Q 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.04 N 0.04 Y 0.04 A 0.03 F 0.03 S 0.01 C Shift Assignments>> CA :: 55.349 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 :: 7.563 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 :: 114.587 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.P65 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 :: 176.599 CA :: 64.599 CB :: 32.946 CG :: 28.602 CD :: 51.139 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 :: 3.847 HB2 :: 1.215 HB3 :: 1.150 HG2 :: 1.332 HG3 :: 1.332 HD2 :: 3.507 HD3 :: 3.060 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.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 177.407 CA :: 63.399 CB :: 69.865 CG2 :: 23.691 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 :: 8.681 HA :: 3.944 HB :: 4.071 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 113.117 Ave N Shift Values>> N :: 115.7(5.05) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 173.471 CA :: 59.377 CB :: 66.145 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.296 HA :: 4.533 HB2 :: 3.623 HB3 :: 3.623 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 :: 113.979 Ave N Shift Values>> N :: 116.3(3.95) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.22 G 0.18 C Shift Assignments>> C :: 175.641 CA :: 60.413 CB :: 43.111 CG1 :: 26.845 CG2 :: 19.245 CD1 :: 15.961 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 :: 8.394 HA :: 5.289 HB :: 1.725 HG12 :: 1.632 HG13 :: 1.049 HG21 :: 0.511 HG22 :: 0.511 HG23 :: 0.511 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 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 :: 117.313 Ave N Shift Values>> N :: 121.6(4.72) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.627 CA :: 60.270 CB :: 65.134 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.582 HA :: 4.115 HB2 :: 3.609 HB3 :: 3.609 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 :: 112.691 Ave N Shift Values>> N :: 116.3(3.95) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.17 K 0.15 M 0.14 E 0.1 V 0.05 W 0.04 R 0.02 H 0.02 Y 0.01 I 0.01 C Shift Assignments>> C :: 175.023 CA :: 57.946 CB :: 34.196 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 6.595 HA :: 4.889 HB2 :: 3.352 HB3 :: 2.752 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.815 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.19 D 0.15 F 0.12 C 0.11 Y 0.1 R 0.07 N 0.02 I 0.01 C Shift Assignments>> C :: 176.160 CA :: 56.115 CB :: 41.483 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 :: 9.417 HA :: 4.191 HB2 :: 2.418 HB3 :: 2.225 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 :: 124.514 Ave N Shift Values>> N :: 120.73(4.2) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 176.355 CA :: 45.759 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.251 HA2 :: 3.954 HA3 :: 3.443 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.644 Ave N Shift Values>> N :: 109.91(4.29) 1.L73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 L 0.24 R 0.24 G 0.04 K 0.01 C Shift Assignments>> C :: 175.568 CA :: 57.889 CB :: 42.628 CG :: 25.712 CD1 :: 26.954 CD2 :: 26.906 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 :: 6.440 HA :: 3.303 HB2 :: 0.505(S) HB3 :: -0.118(S) HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.176 HD22 :: 0.176 HD23 :: 0.176 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 :: 124.023 Ave N Shift Values>> N :: 121.98(4.07) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.27 R 0.16 C 0.12 D 0.08 F 0.01 K 0.01 Y 0.01 C Shift Assignments>> C :: 177.697 CA :: 53.277 CB :: 44.037 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 :: 7.929 HA :: 4.923 HB2 :: 3.031 HB3 :: 2.481 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 :: 127.821 Ave N Shift Values>> N :: 120.73(4.2) 1.S75 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>> CA :: 62.110 CB :: 63.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.834 HA :: 4.071 HB2 :: 3.874 HB3 :: 3.874 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 :: 122.487 Ave N Shift Values>> N :: 116.3(3.95) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 175.439 CA :: 45.967 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.125 HA2 :: 4.305 HA3 :: 3.624 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.496 Ave N Shift Values>> N :: 109.91(4.29) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.42 G 0.07 K 0.01 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 175.116 CA :: 56.274 CB :: 36.492 CG :: 27.530 CD :: 30.547 CE :: 43.279 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 :: 7.594 HA :: 4.411 HB2 :: 2.058 HB3 :: 1.562 HG2 :: 1.349 HG3 :: 1.310 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.984 HE3 :: 2.984 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 :: 122.496 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 G 0.33 L 0.26 A 0.01 C Shift Assignments>> C :: 176.931 CA :: 53.438 CB :: 46.944 CG :: 27.145 CD1 :: 24.288 CD2 :: 24.305 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 :: 8.145 HA :: 5.391 HB2 :: 1.493 HB3 :: 0.893 HG :: 0.618 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 HD21 :: 0.581 HD22 :: 0.581 HD23 :: 0.581 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 :: 119.884 Ave N Shift Values>> N :: 121.98(4.07) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 R 0.19 C 0.18 L 0.13 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.867 CA :: 58.481 CB :: 44.621 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 :: 9.479 HA :: 5.440 HB2 :: 2.903 HB3 :: 2.624 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 :: 117.662 Ave N Shift Values>> N :: 120.79(4.69) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.36 HN Overlap>> 1.T116 1.T116 C Shift Assignments>> C :: 173.653 CA :: 63.557 CB :: 73.912 CG2 :: 22.239 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 :: 9.365 HA :: 5.368 HB :: 4.095 HG21 :: 1.271 HG22 :: 1.271 HG23 :: 1.271 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 :: 118.755 Ave N Shift Values>> N :: 115.7(5.05) 1.L81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 G 0.02 L 0.01 C Shift Assignments>> C :: 175.481 CA :: 54.597 CB :: 48.799(S) CG :: 28.455 CD1 :: 25.789 CD2 :: 25.749 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 :: 9.569 HA :: 5.476 HB2 :: 1.843 HB3 :: 1.222 HG :: 0.970 HD11 :: 1.053 HD12 :: 1.053 HD13 :: 1.053 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 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 :: 130.521 Ave N Shift Values>> N :: 121.98(4.07) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.12 I 0.01 C Shift Assignments>> C :: 174.992 CA :: 61.393 CB :: 38.035 CG1 :: 22.516 CG2 :: 22.302 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 :: 9.446 HA :: 5.242 HB :: 2.193 HG11 :: 1.233 HG12 :: 1.233 HG13 :: 1.233 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 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 :: 125.169 Ave N Shift Values>> N :: 121.02(4.96) 1.L83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.46 C 0.28 A 0.21 L 0.03 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> C :: 177.683 CA :: 54.863 CB :: 45.798 CG :: 27.358 CD1 :: 21.085 CD2 :: 21.210 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 :: 8.354 HA :: 5.351 HB2 :: 1.267 HB3 :: -0.129(S) HG :: 0.445(S) 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 :: 125.944 Ave N Shift Values>> N :: 121.98(4.07) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.37 C Shift Assignments>> C :: 170.640 CA :: 61.495 CB :: 73.438 CG2 :: 21.872 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 :: 9.272 HA :: 5.213 HB :: 3.873 HG21 :: 1.256 HG22 :: 1.256 HG23 :: 1.256 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 :: 124.878 Ave N Shift Values>> N :: 115.7(5.05) 1.D85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 L 0.1 C 0.09 D 0.04 R 0.04 C Shift Assignments>> CA :: 50.807 CB :: 44.067 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 :: 8.322 HA :: 5.899(S) HB2 :: 3.821(S) HB3 :: 2.781 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 :: 126.617 Ave N Shift Values>> N :: 120.73(4.2) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.081 CA :: 64.430 CB :: 33.201 CG :: 27.084 CD :: 51.297 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 :: 4.590 HB2 :: 1.985 HB3 :: 1.985 HD2 :: 3.899 HD3 :: 3.630 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.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.16 R 0.11 C 0.1 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 181.175 CA :: 55.451 CB :: 41.948 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 :: 8.934 HA :: 4.490 HB2 :: 2.253 HB3 :: 2.253 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 :: 129.847 Ave N Shift Values>> N :: 120.73(4.2) 1.A88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 C 0.2 L 0.1 A 0.06 P 0.05 M 0.01 K 0.01 C Shift Assignments>> CA :: 48.503 CB :: 23.592 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 5.676(S) HA :: 4.701 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.212 Ave N Shift Values>> N :: 123.23(3.7) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.85 P 0.14 C Shift Assignments>> C :: 175.568 CA :: 65.938 CB :: 35.537 CG :: 25.660 CD :: 51.155 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 :: 4.903 HB2 :: 2.438 HB3 :: 2.248 HG2 :: 2.043 HG3 :: 1.848 HD2 :: 3.058 HD3 :: 3.058 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.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 S 0.1 C Shift Assignments>> C :: 174.299 CA :: 57.892 CB :: 68.082 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.604 HA :: 4.129 HB2 :: 4.052 HB3 :: 3.601 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 :: 111.021 Ave N Shift Values>> N :: 116.3(3.95) 1.R91 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.45 R 0.06 C Shift Assignments>> C :: 178.600 CA :: 59.822 CB :: 31.718 CG :: 28.219 CD :: 45.723(A) 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 :: 8.945 HA :: 3.829 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.796 HG3 :: 1.796 HD2 :: 3.094 HD3 :: 2.956 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 :: 121.287 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.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.35 K 0.19 G 0.04 M 0.01 C Shift Assignments>> C :: 177.636 CA :: 58.539 CB :: 33.911 CG :: 26.032 CD :: 30.069 CE :: 43.142 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 :: 7.468 HA :: 4.028 HB2 :: 1.652 HB3 :: 1.652 HG2 :: 1.370 HG3 :: 1.370 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.954 HE3 :: 2.954 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 :: 115.977 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 C 0.11 N 0.11 K 0.09 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 177.584 CA :: 52.513 CB :: 41.839 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 :: 7.290 HA :: 4.809 HB2 :: 2.616 HB3 :: 2.194 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 :: 117.015 Ave N Shift Values>> N :: 120.73(4.2) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 179.776 CA :: 64.478 CB :: 29.925 CG :: 27.665 CD :: 50.026 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 :: 4.698 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 1.923 HG3 :: 1.788 HD2 :: 3.265 HD3 :: 3.433 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.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.31 K 0.21 G 0.03 M 0.01 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> C :: 178.595 CA :: 60.145 CB :: 34.205 CG :: 25.519 CD :: 30.451 CE :: 42.752 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 :: 8.387 HA :: 3.943 HB2 :: 1.441 HB3 :: 1.299 HG2 :: 0.981 HG3 :: 0.808 HD2 :: 1.501 HD3 :: 1.454 HE2 :: 2.826 HE3 :: 2.826 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 :: 124.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 N 0.19 Y 0.17 D 0.15 F 0.14 L 0.05 E 0.03 I 0.02 C Shift Assignments>> C :: 175.933 CA :: 55.256 CB :: 38.851 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 :: 8.927 HA :: 5.065 HB2 :: 3.672 HB3 :: 2.669 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 :: 117.466 Ave N Shift Values>> N :: 120.79(4.69) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.36 R 0.13 K 0.02 C Shift Assignments>> C :: 178.760 CA :: 53.225 CB :: 33.048 CG :: 28.256 CD :: 44.586 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 :: 7.652 HA :: 4.211 HB2 :: 1.991 HB3 :: 1.991 HG2 :: 1.680 HG3 :: 1.680 HD2 :: 3.635 HD3 :: 3.241 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 :: 121.938 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.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 I 0.1 M 0.1 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.777 CA :: 59.383 CB :: 31.503 CG :: 36.391 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 :: 9.643 HA :: 4.713 HB2 :: 2.151 HB3 :: 2.151 HG2 :: 2.662 HG3 :: 2.662 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 :: 128.733 Ave N Shift Values>> N :: 120.68(3.68) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.15 Q 0.13 V 0.12 M 0.11 W 0.07 R 0.05 E 0.04 H 0.03 C Shift Assignments>> C :: 178.060 CA :: 59.011 CB :: 33.374 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.991 HA :: 5.130 HB2 :: 4.040 HB3 :: 2.737 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.537 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 M 0.14 R 0.13 K 0.13 W 0.11 H 0.11 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 173.137 CA :: 56.892 CB :: 31.654 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 :: 8.033 HA :: 5.234 HB2 :: 2.490 HB3 :: 2.490 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 :: 126.060 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.18 W 0.13 R 0.09 K 0.08 E 0.07 M 0.06 H 0.05 I 0.04 P 0.03 Q 0.02 C Shift Assignments>> C :: 175.858 CA :: 60.070 CB :: 31.898 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 :: 8.875 HB2 :: 2.475 HB3 :: 2.475 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 :: 122.309 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.23 R 0.22 C 0.13 D 0.04 F 0.02 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.101 CA :: 55.354 CB :: 44.284 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 :: 7.742 HA :: 5.226 HB2 :: 3.267 HB3 :: 3.069 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 :: 119.731 Ave N Shift Values>> N :: 120.69(4.18) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.25 L 0.04 R 0.01 C Shift Assignments>> C :: 174.590 CA :: 56.759 CB :: 46.871 CG :: 28.972 CD1 :: 24.752 CD2 :: 26.419 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 :: 8.386 HA :: 5.211 HB2 :: 1.882 HB3 :: 1.131 HG :: 1.210 HD11 :: 0.429 HD12 :: 0.429 HD13 :: 0.429 HD21 :: 0.375 HD22 :: 0.375 HD23 :: 0.375 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 :: 130.023 Ave N Shift Values>> N :: 121.98(4.07) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.23 C Shift Assignments>> C :: 175.322 CA :: 61.826 CB :: 36.947 CG1 :: 23.289 CG2 :: 22.659 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 :: 9.239 HA :: 4.804 HB :: 1.865 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 0.196 HG22 :: 0.196 HG23 :: 0.196 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 :: 131.203 Ave N Shift Values>> N :: 121.02(4.96) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.11 I 0.1 C Shift Assignments>> C :: 176.521 CA :: 59.840 CB :: 36.997 CG1 :: 22.214 CG2 :: 19.265 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 :: 8.678 HA :: 5.359 HB :: 2.017 HG11 :: 1.074 HG12 :: 1.074 HG13 :: 1.074 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 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 :: 116.873 Ave N Shift Values>> N :: 121.02(4.96) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.17 Y 0.16 N 0.14 F 0.09 M 0.04 D 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 174.531 CA :: 55.556 CB :: 37.307 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 :: 9.356 HA :: 3.993 HB2 :: 3.448 HB3 :: 3.129 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 :: 116.192 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 M 0.13 Q 0.12 K 0.09 I 0.03 HN Overlap>> 1.Q185 1.Q185 C Shift Assignments>> C :: 176.127 CA :: 57.599 CB :: 35.355 CG :: 30.576 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 :: 9.316 HA :: 3.874 HB2 :: 2.398 HB3 :: 1.503 HG2 :: 2.366 HG3 :: 2.149 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 :: 120.521 Ave N Shift Values>> N :: 120.1(3.88) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.35 K 0.18 G 0.05 M 0.03 C Shift Assignments>> C :: 178.764 CA :: 56.905 CB :: 32.733 CG :: 25.931 CD :: 30.581 CE :: 43.212 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 :: 8.537 HA :: 4.637 HB2 :: 1.910 HB3 :: 1.866 HG2 :: 1.432 HG3 :: 1.387 HD2 :: 1.737 HD3 :: 1.701 HE2 :: 3.034 HE3 :: 3.034 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 :: 127.744 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 A 0.12 N 0.06 C 0.05 D 0.02 G 0.01 C Shift Assignments>> C :: 171.084 CA :: 49.241 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.019 HA2 :: 3.850 HA3 :: 3.661 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.895 Ave N Shift Values>> N :: 109.91(4.29) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.16 C 0.15 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 176.622 CA :: 51.758 CB :: 38.726 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 :: 7.735 HA :: 4.729 HB2 :: 3.273 HB3 :: 1.930 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 :: 119.468 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.23 L 0.12 C 0.12 F 0.07 Y 0.07 K 0.04 HN Overlap>> 1.L199 1.L199 C Shift Assignments>> C :: 178.130 CA :: 53.440 CB :: 40.382 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 :: 7.889 HA :: 4.769 HB2 :: 3.208 HB3 :: 2.703 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 :: 117.496 Ave N Shift Values>> N :: 120.73(4.2) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 178.514 CA :: 66.983 CB :: 39.504 CG1 :: 29.926 CG2 :: 18.794 CD1 :: 14.267 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 :: 8.265 HA :: 3.722 HB :: 1.824 HG12 :: 1.780 HG13 :: 1.031 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 130.357 Ave N Shift Values>> N :: 121.6(4.72) 1.S113 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 :: 175.695 CA :: 61.757 CB :: 64.552 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.053 HA :: 4.399 HB2 :: 4.030 HB3 :: 4.006 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 :: 113.716 Ave N Shift Values>> N :: 116.3(3.95) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.52 T 0.47 C Shift Assignments>> C :: 176.564 CA :: 60.618 CB :: 66.423 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.841 HA :: 4.482 HB2 :: 4.139 HB3 :: 4.052 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 :: 117.809 Ave N Shift Values>> N :: 116.3(3.95) 1.G115 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 :: 173.971 CA :: 45.366 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.691 HA2 :: 4.304 HA3 :: 3.340 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.965 Ave N Shift Values>> N :: 109.91(4.29) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.T80 1.T80 C Shift Assignments>> C :: 174.354 CA :: 63.538 CB :: 71.034 CG2 :: 21.917 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 :: 9.321 HA :: 4.397 HB :: 4.010 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 118.700 Ave N Shift Values>> N :: 115.7(5.05) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.712 CA :: 64.153 CB :: 32.044 CG1 :: 22.562 CG2 :: 21.998 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 :: 8.987 HA :: 3.916 HB :: 2.140 HG11 :: 1.074 HG12 :: 1.074 HG13 :: 1.074 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 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 :: 130.290 Ave N Shift Values>> N :: 121.02(4.96) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.21 G 0.02 L 0.01 C Shift Assignments>> C :: 177.449 CA :: 57.714 CB :: 42.727 CG :: 30.456 CD1 :: 27.562 CD2 :: 23.938 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 :: 8.386 HA :: 4.478 HB2 :: 1.787 HB3 :: 1.468 HG :: 1.482 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 132.282 Ave N Shift Values>> N :: 121.98(4.07) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.779 CA :: 56.940 CB :: 63.939 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.701 HA :: 5.182 HB2 :: 3.495 HB3 :: 3.218 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 :: 111.586 Ave N Shift Values>> N :: 116.3(3.95) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.19 K 0.18 C 0.1 F 0.09 Y 0.07 R 0.07 N 0.04 C Shift Assignments>> C :: 177.427 CA :: 55.231 CB :: 41.568 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 :: 8.101 HA :: 4.792 HB2 :: 2.910 HB3 :: 2.477 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 :: 124.069 Ave N Shift Values>> N :: 120.73(4.2) 1.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 F 0.2 Y 0.15 C 0.15 HN Overlap>> 1.Y44 1.Y44 C Shift Assignments>> C :: 175.367 CA :: 62.321 CB :: 39.906 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 :: 8.968 HA :: 3.989 HB2 :: 2.767 HB3 :: 1.773 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 :: 123.551 Ave N Shift Values>> N :: 120.79(4.69) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 176.918 CA :: 62.517 CB :: 37.045 CG1 :: 23.424 CG2 :: 23.199 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 :: 7.659 HA :: 3.908 HB :: 1.837 HG11 :: 1.285 HG12 :: 1.285 HG13 :: 1.285 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 130.938 Ave N Shift Values>> N :: 121.02(4.96) 1.G123 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 :: 174.244 CA :: 45.345 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.082 HA2 :: 3.876 HA3 :: 3.649 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.168 Ave N Shift Values>> N :: 109.91(4.29) 1.S124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.52 T 0.47 C Shift Assignments>> CA :: 62.081 CB :: 65.921 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.653 HA :: 3.401 HB2 :: 3.113 HB3 :: 2.807(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 :: 112.491 Ave N Shift Values>> N :: 116.3(3.95) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 G 0.24 C 0.23 A 0.1 N 0.04 D 0.01 C Shift Assignments>> CA :: 48.251 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.159 HA2 :: 4.560 HA3 :: 4.560 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.160 Ave N Shift Values>> N :: 109.91(4.29) 1.P126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.48 P 0.35 C 0.09 I 0.02 W 0.01 C Shift Assignments>> C :: 179.779 CA :: 63.743 CB :: 33.202 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 :: 4.578 HB2 :: 1.945 HB3 :: 1.945 HD2 :: 2.466 HD3 :: 2.466 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.K128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 K 0.32 R 0.27 G 0.01 M 0.01 C Shift Assignments>> C :: 178.539 CA :: 59.942 CB :: 32.918 CG :: 25.877 CD :: 29.843 CE :: 42.337 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 :: 9.096 HA :: 3.511 HB2 :: 1.185 HB3 :: 0.081(S) HG2 :: 0.788 HG3 :: 0.310(S) HD2 :: 0.767(S) HD3 :: 0.309(S) HE2 :: 2.033(S) HE3 :: 1.965(S) 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 :: 130.981 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 176.735 CA :: 46.703 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.059 HA2 :: 4.218 HA3 :: 3.817 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.591 Ave N Shift Values>> N :: 109.91(4.29) 1.T130 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>> C :: 175.640 CA :: 63.069 CB :: 72.261 CG2 :: 22.805 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 :: 7.535 HA :: 4.543 HB :: 4.818 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 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 :: 107.417 Ave N Shift Values>> N :: 115.7(5.05) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 174.969 CA :: 46.115 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.518 HA2 :: 4.142 HA3 :: 3.950 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.142 Ave N Shift Values>> N :: 109.91(4.29) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 C 0.28 R 0.21 G 0.19 C Shift Assignments>> C :: 180.744 CA :: 56.482 CB :: 44.209 CG :: 27.950 CD1 :: 26.692 CD2 :: 24.631 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 :: 8.578 HA :: 4.308 HB2 :: 1.749 HB3 :: 1.078 HG :: 1.692 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 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 :: 119.431 Ave N Shift Values>> N :: 121.98(4.07) 1.H133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 M 0.15 C 0.15 R 0.14 W 0.1 K 0.09 Q 0.09 E 0.08 C Shift Assignments>> C :: 174.894 CA :: 54.595 CB :: 31.105 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 :: 9.179 HA :: 4.863 HB2 :: 3.127 HB3 :: 3.127 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 :: 126.448 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.42 R 0.14 C Shift Assignments>> C :: 172.781 CA :: 57.072 CB :: 31.905 CG :: 26.191 CD :: 45.251 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 :: 9.204 HA :: 3.795 HB2 :: 1.776 HB3 :: 1.066 HG2 :: 1.989 HG3 :: 1.989 HD2 :: 3.228 HD3 :: 3.228 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 :: 122.716 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.Y135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.14 D 0.03 L 0.03 E 0.02 C Shift Assignments>> C :: 175.626 CA :: 58.434 CB :: 39.245 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 :: 8.513 HA :: 4.378 HB2 :: 1.845 HB3 :: 0.857(S) 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 :: 118.363 Ave N Shift Values>> N :: 120.79(4.69) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 176.348 CA :: 63.428 CB :: 34.495 CG1 :: 23.827 CG2 :: 23.312 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 :: 8.882 HA :: 4.524 HB :: 2.106 HG11 :: 1.117 HG12 :: 1.117 HG13 :: 1.117 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 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 :: 124.671 Ave N Shift Values>> N :: 121.02(4.96) 1.W137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.26 M 0.12 K 0.08 Y 0.07 Q 0.05 F 0.02 I 0.02 N 0.01 V 0.01 W 0.01 C Shift Assignments>> C :: 177.606 CA :: 56.623 CB :: 35.705 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.580 HA :: 5.859 HB2 :: 3.061 HB3 :: 2.937 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 128.691 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L138 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.310 CA :: 55.533 CB :: 50.019(S) CD1 :: 28.823 CD2 :: 26.108 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 :: 9.683 HA :: 5.090 HB2 :: 1.768 HB3 :: 1.345 HG :: 1.835 HD11 :: 1.223 HD12 :: 1.223 HD13 :: 1.223 HD21 :: 1.129 HD22 :: 1.129 HD23 :: 1.129 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 :: 122.431 Ave N Shift Values>> N :: 121.98(4.07) 1.V139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 V 0.26 HN Overlap>> 1.N63 1.N63 C Shift Assignments>> C :: 176.143 CA :: 60.984 CB :: 35.419 CG1 :: 23.816 CG2 :: 23.083 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 :: 8.150 HA :: 5.246 HB :: 0.891(S) HG11 :: 0.245 HG12 :: 0.245 HG13 :: 0.245 HG21 :: 0.078 HG22 :: 0.078 HG23 :: 0.078 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 :: 119.200 Ave N Shift Values>> N :: 121.02(4.96) 1.Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.17 C 0.16 G 0.16 F 0.06 Y 0.04 K 0.03 D 0.01 C Shift Assignments>> C :: 176.589 CA :: 58.112 CB :: 43.959 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 :: 9.605 HA :: 4.778 HB2 :: 3.055 HB3 :: 2.662 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 :: 125.719 Ave N Shift Values>> N :: 120.79(4.69) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 E 0.22 M 0.13 I 0.02 C Shift Assignments>> C :: 176.049 CA :: 57.500 CB :: 33.047 CG :: 37.216 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 :: 9.036 HA :: 4.530 HB2 :: 2.131 HB3 :: 2.131 HG2 :: 2.202 HG3 :: 2.202 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 :: 124.678 Ave N Shift Values>> N :: 120.68(3.68) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.27 E 0.26 Q 0.07 K 0.02 C Shift Assignments>> C :: 177.491 CA :: 55.483 CB :: 31.752 CG :: 35.608 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 :: 8.562 HA :: 4.582 HB2 :: 2.365 HB3 :: 1.706 HG2 :: 2.267 HG3 :: 2.267 HE22 :: 7.990 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 :: 123.343 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.22 K 0.14 D 0.1 C 0.1 F 0.06 Y 0.05 G 0.01 C Shift Assignments>> C :: 176.139 CA :: 55.750 CB :: 42.729 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 :: 8.902 HA :: 4.751 HB2 :: 2.791 HB3 :: 2.615 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 :: 120.966 Ave N Shift Values>> N :: 120.73(4.2) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.34 G 0.25 K 0.02 L 0.01 C Shift Assignments>> CA :: 54.780 CB :: 30.549 CG :: 26.010 CD :: 44.280 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 :: 7.850 HA :: 4.836 HB2 :: 1.969 HB3 :: 1.771 HG2 :: 1.527 HG3 :: 1.400 HD2 :: 3.205 HD3 :: 3.205 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 :: 117.180 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.P145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 177.192 CA :: 64.207 CB :: 32.580 CG :: 28.828 CD :: 51.724 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 :: 4.035 HB2 :: 2.123 HB3 :: 1.705 HG2 :: 2.025 HG3 :: 1.826 HD2 :: 3.700 HD3 :: 3.545 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.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.27 L 0.2 R 0.04 C Shift Assignments>> C :: 178.435 CA :: 55.145 CB :: 45.506 CG :: 28.136 CD1 :: 23.972 CD2 :: 25.732 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 :: 9.528 HA :: 4.471 HB2 :: 1.413 HB3 :: 1.132 HG :: 1.713 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.502 HD22 :: 0.502 HD23 :: 0.502 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 :: 125.257 Ave N Shift Values>> N :: 121.98(4.07) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.34 K 0.22 G 0.04 M 0.03 C Shift Assignments>> C :: 176.456 CA :: 56.520 CB :: 33.644 CG :: 25.806 CD :: 30.224 CE :: 43.087 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 :: 8.532 HA :: 4.491 HB2 :: 1.813 HB3 :: 1.623 HG2 :: 1.323 HG3 :: 1.286 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.963 HE3 :: 2.963 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 :: 126.299 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 V 0.12 E 0.1 R 0.1 I 0.09 H 0.06 Q 0.04 K 0.04 P 0.03 M 0.03 C Shift Assignments>> C :: 177.118 CA :: 60.289 CB :: 30.760 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.737 HA :: 4.856 HB2 :: 3.782 HB3 :: 2.398 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 :: 125.625 Ave N Shift Values>> N :: 119.95(4.79) 1.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 K 0.12 C 0.1 N 0.09 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 176.598 CA :: 54.130 CB :: 41.252 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 :: 8.196 HA :: 4.643 HB2 :: 2.912 HB3 :: 2.565 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 :: 122.220 Ave N Shift Values>> N :: 120.73(4.2) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.12 R 0.11 H 0.11 Q 0.11 K 0.1 I 0.06 M 0.03 V 0.02 C Shift Assignments>> CA :: 58.539 CB :: 29.683 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 :: 8.771 HA :: 4.114 HB2 :: 2.038 HB3 :: 2.038 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 :: 126.511 Ave N Shift Values>> N :: 120.68(3.68) 1.P151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.351 CA :: 63.035 CB :: 32.885 CG :: 27.818 CD :: 50.915 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 :: 4.291 HB2 :: 2.019 HB3 :: 1.606 HG2 :: 1.825 HG3 :: 1.714 HD2 :: 3.624 HD3 :: 3.513 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.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 178.680 CA :: 60.158 CB :: 37.081 CG1 :: 28.341 CG2 :: 18.843 CD1 :: 12.287 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 :: 7.936 HA :: 4.820 HB :: 1.907 HG12 :: 1.474 HG13 :: 1.474 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 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 :: 119.634 Ave N Shift Values>> N :: 121.6(4.72) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.24 R 0.21 G 0.06 A 0.02 C Shift Assignments>> C :: 178.795 CA :: 54.703 CB :: 43.129 CG :: 27.456 CD1 :: 26.888 CD2 :: 23.314 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 :: 9.420 HA :: 4.831 HB2 :: 1.812 HB3 :: 1.751 HG :: 1.786 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.717 HD22 :: 0.717 HD23 :: 0.717 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 :: 130.046 Ave N Shift Values>> N :: 121.98(4.07) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 175.419 CA :: 58.135 CB :: 66.230 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.829 HA :: 4.768 HB2 :: 4.230 HB3 :: 4.002 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 :: 122.930 Ave N Shift Values>> N :: 116.3(3.95) 1.N155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.15 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 175.420 CA :: 52.130 CB :: 38.752 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 :: 8.618 HA :: 4.466 HB2 :: 3.176 HB3 :: 2.145 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 :: 117.049 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.35 G 0.2 K 0.06 C Shift Assignments>> C :: 175.310 CA :: 55.816 CB :: 31.445 CG :: 28.324 CD :: 44.226 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 :: 7.967 HA :: 4.703 HB2 :: 2.250 HB3 :: 1.536 HG2 :: 1.763 HG3 :: 1.763 HD2 :: 3.224 HD3 :: 3.224 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 :: 115.402 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.S157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 176.249 CA :: 57.794 CB :: 66.231 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.943 HA :: 4.923 HB2 :: 3.897 HB3 :: 3.478 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 :: 110.055 Ave N Shift Values>> N :: 116.3(3.95) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 175.287 CA :: 45.944 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.898 HA2 :: 4.351 HA3 :: 3.954 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.315 Ave N Shift Values>> N :: 109.91(4.29) 1.D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.18 F 0.13 C 0.11 D 0.11 Y 0.1 R 0.08 I 0.01 N 0.01 C Shift Assignments>> C :: 177.518 CA :: 56.707 CB :: 41.607 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 :: 8.304 HA :: 4.197 HB2 :: 2.496 HB3 :: 2.178 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 :: 122.487 Ave N Shift Values>> N :: 120.73(4.2) 1.H160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 K 0.12 Q 0.12 C 0.12 W 0.1 L 0.08 H 0.08 I 0.08 E 0.07 C Shift Assignments>> C :: 175.587 CA :: 57.972 CB :: 27.632 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 :: 8.769 HA :: 4.275 HB2 :: 3.558 HB3 :: 3.490 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 :: 113.317 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R161 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.11 K 0.09 C Shift Assignments>> C :: 179.927 CA :: 57.597 CB :: 31.230 CG :: 27.422 CD :: 43.745 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 :: 7.171 HA :: 3.683 HB2 :: 0.527(S) HB3 :: -0.857(A) HG2 :: 0.869 HG3 :: 0.714 HD2 :: 2.122(S) HD3 :: 1.736(S) 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 :: 118.303 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.G162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.739 CA :: 45.498 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 4.833 HA3 :: 3.825 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.961 Ave N Shift Values>> N :: 109.91(4.29) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 G 0.07 M 0.01 C Shift Assignments>> C :: 176.868 CA :: 58.582 CB :: 29.956 CG :: 26.826 CD :: 32.795 CE :: 43.300 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 :: 8.154 HA :: 4.034 HB2 :: 2.006 HB3 :: 2.006 HG2 :: 1.580 HG3 :: 1.465 HD2 :: 1.825 HD3 :: 1.825 HE2 :: 3.068 HE3 :: 3.068 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 :: 114.990 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 R 0.19 F 0.15 C 0.13 L 0.13 Y 0.1 D 0.03 I 0.03 G 0.01 C Shift Assignments>> C :: 175.410 CA :: 58.409 CB :: 42.328 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 :: 9.804 HA :: 4.361 HB2 :: 3.017 HB3 :: 2.738 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 :: 123.867 Ave N Shift Values>> N :: 120.69(4.18) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.37 K 0.11 G 0.1 M 0.01 C Shift Assignments>> C :: 177.527 CA :: 54.855 CB :: 35.455 CG :: 25.883 CD :: 29.829 CE :: 43.501 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 :: 7.287 HA :: 4.655 HB2 :: 1.622 HB3 :: 1.622 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 1.785 HD3 :: 1.762 HE2 :: 3.021 HE3 :: 3.021 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 :: 124.630 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 176.604 CA :: 67.034 CB :: 32.212 CG1 :: 25.821 CG2 :: 22.805 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 :: 10.071 HA :: 3.819 HB :: 2.437 HG11 :: 1.471 HG12 :: 1.471 HG13 :: 1.471 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 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 :: 132.176 Ave N Shift Values>> N :: 121.02(4.96) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.23 C 0.06 V 0.04 I 0.04 L 0.02 T 0.02 C Shift Assignments>> C :: 181.233 CA :: 56.109 CB :: 19.521 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.741 HA :: 4.194 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.831 Ave N Shift Values>> N :: 123.23(3.7) 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 :: 177.548 CA :: 62.232 CB :: 63.520 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.753 HA :: 4.179 HB2 :: 3.853 HB3 :: 3.853 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 :: 111.394 Ave N Shift Values>> N :: 116.3(3.95) 1.F169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 F 0.19 C 0.15 Y 0.12 K 0.01 C Shift Assignments>> C :: 177.133 CA :: 62.957 CB :: 40.571 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 :: 8.085 HA :: 3.946 HB2 :: 2.912 HB3 :: 2.912 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 :: 126.335 Ave N Shift Values>> N :: 120.69(4.18) 1.R170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.33 R 0.16 L 0.12 C Shift Assignments>> C :: 179.399 CA :: 59.663 CB :: 28.081 CG :: 25.898 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 :: 9.029 HA :: 3.673 HB2 :: 1.192 HB3 :: 1.192 HG2 :: 2.290 HG3 :: 2.290 HD2 :: 2.726 HD3 :: 2.726 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 :: 118.544 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.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.39 G 0.11 C Shift Assignments>> C :: 181.311 CA :: 61.412 CB :: 33.614 CG :: 28.409 CD :: 30.519 CE :: 43.158 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 :: 7.549 HA :: 4.040 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.361 HG3 :: 1.624 HD2 :: 1.562 HD3 :: 1.562 HE2 :: 2.847 HE3 :: 2.768 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 :: 121.213 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.47 R 0.31 K 0.12 M 0.04 G 0.04 C Shift Assignments>> C :: 178.511 CA :: 60.329 CB :: 32.649 CG :: 25.453 CD :: 31.629 CE :: 42.628 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 :: 7.953 HA :: 3.706 HB2 :: 1.843 HB3 :: 1.601 HG2 :: 0.869 HG3 :: 0.869 HD2 :: 1.102 HD3 :: 1.102 HE2 :: 2.642 HE3 :: 2.642 HZ1 :: 6.760(U) HZ2 :: 6.760(U) HZ3 :: 6.760(U) 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 :: 126.304 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 Y 0.23 F 0.22 C 0.19 E 0.02 C Shift Assignments>> C :: 173.941 CA :: 60.276 CB :: 38.821 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 :: 6.481 HA :: 4.304 HB2 :: 3.385 HB3 :: 1.851 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 :: 115.066 Ave N Shift Values>> N :: 120.79(4.69) 1.E174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.14 C 0.14 I 0.1 Q 0.09 K 0.09 W 0.07 H 0.06 E 0.04 C Shift Assignments>> C :: 176.192 CA :: 58.034 CB :: 26.657 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 :: 7.727 HA :: 3.797 HB2 :: 2.212 HB3 :: 2.212 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 :: 113.436 Ave N Shift Values>> N :: 120.68(3.68) 1.L175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 R 0.1 G 0.01 C Shift Assignments>> C :: 179.356 CA :: 54.925 CB :: 42.209 CG :: 27.880 CD1 :: 24.462 CD2 :: 24.753 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 :: 8.403 HA :: 4.628 HB2 :: 1.353 HB3 :: 1.353 HG :: 1.686 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.696 HD22 :: 0.696 HD23 :: 0.696 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 :: 118.971 Ave N Shift Values>> N :: 121.98(4.07) 1.R176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.22 R 0.21 K 0.07 C Shift Assignments>> C :: 174.183 CA :: 56.764 CB :: 32.183 CG :: 29.723 CD :: 44.231 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 :: 9.069 HA :: 4.152 HB2 :: 2.142 HB3 :: 1.873 HG2 :: 1.657 HG3 :: 1.657 HD2 :: 3.329 HD3 :: 3.175 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 :: 124.519 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.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 C 0.01 C Shift Assignments>> CA :: 52.625 CB :: 17.932 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.570 HA :: 4.126 HB1 :: 1.249 HB2 :: 1.249 HB3 :: 1.249 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 123.23(3.7) 1.P178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 178.544 CA :: 65.445 CB :: 32.091 CG :: 29.126 CD :: 51.303 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 :: 3.869 HB2 :: 1.434 HB3 :: 1.240 HG2 :: 1.883 HG3 :: 1.795 HD2 :: 3.062 HD3 :: 3.062 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.V179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.025 CA :: 63.815 CB :: 33.405 CG1 :: 22.935 CG2 :: 22.760 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 :: 8.441 HA :: 4.204 HB :: 2.333 HG11 :: 1.064 HG12 :: 1.064 HG13 :: 1.064 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 121.596 Ave N Shift Values>> N :: 121.02(4.96) 1.A180 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.41 A 0.22 C 0.18 M 0.1 K 0.05 C Shift Assignments>> C :: 176.644 CA :: 51.164 CB :: 22.940 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.390 HA :: 5.742(S) HB1 :: 0.422(S) HB2 :: 0.422(S) HB3 :: 0.422(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.893 Ave N Shift Values>> N :: 123.23(3.7) 1.G181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 P 0.26 C 0.24 A 0.09 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 173.342 CA :: 48.158 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.407 HA2 :: 4.599 HA3 :: 4.192 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.604 Ave N Shift Values>> N :: 109.91(4.29) 1.T182 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 :: 172.644 CA :: 62.366 CB :: 68.758 CG2 :: 21.887 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 :: 9.760 HA :: 4.788 HB :: 4.880 HG21 :: 1.345 HG22 :: 1.345 HG23 :: 1.345 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 :: 113.842 Ave N Shift Values>> N :: 115.7(5.05) 1.C183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.15 M 0.15 R 0.11 W 0.11 H 0.09 E 0.08 Q 0.06 V 0.03 C Shift Assignments>> C :: 174.881 CA :: 57.231 CB :: 32.164 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.926 HA :: 5.969 HB2 :: 2.974 HB3 :: 2.127 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 :: 122.011 Ave N Shift Values>> N :: 119.95(4.79) 1.Y184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.22 K 0.13 C 0.11 F 0.08 D 0.06 Y 0.05 G 0.02 C Shift Assignments>> C :: 173.498 CA :: 56.861 CB :: 42.962 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 :: 9.234 HA :: 5.644 HB2 :: 3.854 HB3 :: 3.020 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 :: 127.537 Ave N Shift Values>> N :: 120.79(4.69) 1.Q185 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.26 C 0.24 Y 0.14 E 0.09 F 0.09 D 0.07 M 0.03 I 0.01 L 0.01 HN Overlap>> 1.M107 1.M107 C Shift Assignments>> C :: 175.677 CA :: 54.770 CB :: 37.745(S) 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 :: 9.353 HA :: 5.953(S) HB2 :: 2.119 HB3 :: 1.719 HG2 :: 1.792 HG3 :: 1.792 HE21 :: 6.792 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 :: 120.415 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 K 0.17 C 0.13 M 0.08 A 0.03 R 0.02 C Shift Assignments>> C :: 176.442 CA :: 53.645 CB :: 23.538 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.459 HA :: 5.207 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.724 Ave N Shift Values>> N :: 123.23(3.7) 1.E187 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 G 0.38 R 0.05 K 0.02 C Shift Assignments>> C :: 175.130 CA :: 54.311 CB :: 34.449 CG :: 44.336(S) 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 :: 8.982 HA :: 4.983 HB2 :: 2.247 HB3 :: 2.247 HG2 :: 3.022(S) HG3 :: 2.461 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 :: 120.052 Ave N Shift Values>> N :: 120.68(3.68) 1.W188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 V 0.32 C 0.09 I 0.09 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 177.556 CA :: 63.072 CB :: 31.473 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.237 HA :: 3.726 HB2 :: 3.182 HB3 :: 3.182 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.815 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D189 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.31 R 0.21 D 0.13 C 0.11 K 0.06 G 0.06 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.299 CA :: 54.037 CB :: 43.244 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 :: 6.438(S) HA :: 4.001 HB2 :: 2.995 HB3 :: 2.995 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 :: 124.987 Ave N Shift Values>> N :: 120.73(4.2) 1.D190 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.18 Y 0.16 L 0.14 C 0.14 K 0.14 D 0.13 I 0.03 N 0.02 R 0.02 C Shift Assignments>> C :: 178.151 CA :: 56.756 CB :: 40.777 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 :: 7.452 HA :: 3.502(S) HB2 :: 2.644 HB3 :: 2.521 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 :: 111.163 Ave N Shift Values>> N :: 120.73(4.2) 1.Y191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 I 0.27 Y 0.21 C 0.17 K 0.03 L 0.01 C Shift Assignments>> C :: 177.744 CA :: 60.613 CB :: 40.302 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 :: 8.284 HA :: 4.254 HB2 :: 3.136 HB3 :: 2.840 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 :: 122.312 Ave N Shift Values>> N :: 120.79(4.69) 1.V192 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 69.952(A) CB :: 29.392 CG1 :: 22.749 CG2 :: 26.427 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 :: 7.348 HA :: 3.014 HB :: 1.853 HG11 :: 0.552 HG12 :: 0.552 HG13 :: 0.552 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 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 :: 119.768 Ave N Shift Values>> N :: 121.02(4.96) 1.P193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 P 0.12 C Shift Assignments>> CA :: 67.466 CB :: 32.681 CG :: 29.957 CD :: 50.192 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 :: 4.228 HB2 :: 2.444 HB3 :: 1.717 HG2 :: 2.288 HG3 :: 2.288 HD2 :: 3.507 HD3 :: 3.342 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.K194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.23 G 0.04 M 0.01 C Shift Assignments>> C :: 180.606 CA :: 59.117 CB :: 31.808 CG :: 26.012 CD :: 29.659 CE :: 43.041 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 :: 7.082 HA :: 3.974 HB2 :: 1.682 HB3 :: 1.682 HG2 :: 1.382 HG3 :: 1.382 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.955 HE3 :: 2.955 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 :: 117.091 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.31 R 0.24 K 0.04 G 0.01 C Shift Assignments>> C :: 180.123 CA :: 58.815 CB :: 41.982 CG :: 27.957 CD1 :: 26.695 CD2 :: 24.552 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 :: 7.186 HA :: 3.866 HB2 :: 1.588 HB3 :: 1.090 HG :: 1.204 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 HD21 :: 0.410 HD22 :: 0.410 HD23 :: 0.410 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 :: 125.124 Ave N Shift Values>> N :: 121.98(4.07) 1.Y196 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.18 Y 0.1 F 0.08 V 0.02 E 0.02 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 180.631(A) CA :: 62.749 CB :: 37.548 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 :: 8.069 HA :: 4.047 HB2 :: 3.050 HB3 :: 2.899 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 :: 117.328 Ave N Shift Values>> N :: 120.79(4.69) 1.E197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 W 0.15 C 0.15 E 0.09 V 0.08 R 0.07 H 0.05 K 0.05 Q 0.05 P 0.03 M 0.01 C Shift Assignments>> C :: 180.306 CA :: 60.765 CB :: 29.689 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 :: 7.687 HA :: 4.076 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.531 HG3 :: 2.328 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 :: 121.438 Ave N Shift Values>> N :: 120.68(3.68) 1.Q198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.26 Q 0.12 K 0.11 I 0.1 M 0.06 C Shift Assignments>> C :: 179.719 CA :: 60.107 CB :: 30.053 CG :: 34.934 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 :: 7.776 HA :: 4.146 HB2 :: 2.398 HB3 :: 2.398 HG2 :: 2.364 HG3 :: 2.364 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 :: 123.319 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.05 L 0.01 HN Overlap>> 1.D111 1.D111 C Shift Assignments>> C :: 177.490 CA :: 56.841 CB :: 43.208 CG :: 30.703 CD1 :: 26.874 CD2 :: 23.380 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 :: 7.907 HA :: 3.924 HB2 :: 1.705 HB3 :: 1.483 HG :: 1.512 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.658 HD22 :: 0.658 HD23 :: 0.658 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 :: 117.501 Ave N Shift Values>> N :: 121.98(4.07) 1.S200 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 :: 176.163 CA :: 59.870 CB :: 65.150 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.561 HA :: 4.568 HB2 :: 4.041 HB3 :: 4.041 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 :: 113.911 Ave N Shift Values>> N :: 116.3(3.95) 1.G201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.851 CA :: 47.208 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.960 HA2 :: 4.152 HA3 :: 3.979 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.223 Ave N Shift Values>> N :: 109.91(4.29) 1.K202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 K 0.15 G 0.05 M 0.01 C Shift Assignments>> CA :: 58.381 CB :: 34.845 CG :: 26.158 CD :: 30.027 CE :: 43.191 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 :: 7.675 HA :: 4.186 HB2 :: 1.837 HB3 :: 1.614 HG2 :: 1.357 HG3 :: 1.357 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.967 HE3 :: 2.967 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 :: 125.796 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 179 #Clerical: 1 #Suspicious: 15 #Anomalous: 5 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 183 #Suspicious: 1 #Mistyped: 2 #Indeterminable: 16 Shift Relative Order (SRO) Results: #Consistent: 202 #Suspicious: 0 C Shift Results: #Consistent: 712 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 4 H Shift Results: #Consistent:1127 #Duplicate: 0 #Unknown: 3 #Suspicious: 32 #Anomalous: 1 N Shift Results: #Consistent: 172 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L29 HB2 = -0.104(S), Expected = 1.63, Std = 0.3400, ChiSquare = 3.3965e-07 1.L29 HB3 = -0.283(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.6437e-07 1.T59 CA = 69.516(A), Expected = 62.15, Std = 2.7200, ChiSquare = 6.7672e-03 1.V61 HG11 = -0.794(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4319e-09 1.V61 HG12 = -0.794(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4319e-09 1.V61 HG13 = -0.794(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4319e-09 1.L73 HB2 = 0.505(S), Expected = 1.63, Std = 0.3400, ChiSquare = 9.3689e-04 1.L73 HB3 = -0.118(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.7469e-06 1.L81 CB = 48.799(S), Expected = 42.37, Std = 1.8600, ChiSquare = 5.4734e-04 1.L83 HB3 = -0.129(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.3649e-06 1.L83 HG = 0.445(S), Expected = 1.54, Std = 0.3300, ChiSquare = 9.0605e-04 1.D85 HA = 5.899(S), Expected = 4.61, Std = 0.3100, ChiSquare = 3.2096e-05 1.D85 HB2 = 3.821(S), Expected = 2.74, Std = 0.2900, ChiSquare = 1.9332e-04 1.A88 H = 5.676(S), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5916e-05 1.R91 CD = 45.723(A), Expected = 43.10, Std = 1.1000, ChiSquare = 1.7100e-02 1.S124 HB3 = 2.807(S), Expected = 3.87, Std = 0.3100, ChiSquare = 6.0574e-04 1.K128 HB3 = 0.081(S), Expected = 1.78, Std = 0.2600, ChiSquare = 6.3773e-11 1.K128 HG3 = 0.310(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.5701e-04 1.K128 HD2 = 0.767(S), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4624e-04 1.K128 HD3 = 0.309(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9504e-07 1.K128 HE2 = 2.033(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.2914e-06 1.K128 HE3 = 1.965(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.4000e-06 1.Y135 HB3 = 0.857(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.8789e-08 1.L138 Typing: Suspicious 1.L138 CB = 50.019(S), Expected = 42.37, Std = 1.8600, ChiSquare = 3.9163e-05 1.V139 HB = 0.891(S), Expected = 1.99, Std = 0.3300, ChiSquare = 8.6752e-04 1.R161 HB2 = 0.527(S), Expected = 1.79, Std = 0.2800, ChiSquare = 6.4610e-06 1.R161 HB3 = -0.857(A), Expected = 1.78, Std = 0.2800, ChiSquare = 4.6039e-21 1.R161 HD2 = 2.122(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.1727e-05 1.R161 HD3 = 1.736(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.3525e-10 1.K172 HZ1 = 6.760(U) 1.K172 HZ2 = 6.760(U) 1.K172 HZ3 = 6.760(U) 1.A180 HA = 5.742(S), Expected = 4.26, Std = 0.4200, ChiSquare = 4.1781e-04 1.A180 HB1 = 0.422(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2711e-04 1.A180 HB2 = 0.422(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2711e-04 1.A180 HB3 = 0.422(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2711e-04 1.Q185 Typing: Mistyped 1.Q185 CB = 37.745(S), Expected = 29.10, Std = 1.9700, ChiSquare = 1.1423e-05 1.Q185 HA = 5.953(S), Expected = 4.28, Std = 0.4400, ChiSquare = 1.4337e-04 1.E187 Typing: Mistyped 1.E187 CG = 44.336(S), Expected = 36.01, Std = 1.5100, ChiSquare = 3.5095e-08 1.E187 HG2 = 3.022(S), Expected = 2.31, Std = 0.2100, ChiSquare = 6.9771e-04 1.D189 H = 6.438(S), Expected = 8.33, Std = 0.5700, ChiSquare = 9.0244e-04 1.D190 HA = 3.502(S), Expected = 4.61, Std = 0.3100, ChiSquare = 3.5131e-04 1.V192 CA = 69.952(A), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3975e-02 1.Y196 C = 180.631(A), Expected = 175.39, Std = 1.8900, ChiSquare = 5.5539e-03