M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.66 D 0.18 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 175.240(D) CA :: 51.985(D) CB :: 38.523(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.4 I 0.03 C Shift Assignments>> C :: 178.528(D) CA :: 54.865(D) CB :: 17.960(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.899(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.481(D) Ave N Shift Values>> N :: 123.23(3.7) D4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 D 0.14 L 0.1 I 0.06 N 0.04 K 0.04 E 0.01 C Shift Assignments>> C :: 178.709(D) CA :: 56.950(D) CB :: 39.873(D) 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 :: 8.192(D) 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 :: 117.969(D) Ave N Shift Values>> N :: 120.73(4.2) E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 K 0.15 E 0.14 Q 0.14 H 0.12 R 0.1 I 0.08 M 0.02 L 0.02 V 0.01 C Shift Assignments>> C :: 179.558(D) CA :: 58.355(D) CB :: 28.860(D) 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 :: 7.923(D) 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 :: 120.977(D) Ave N Shift Values>> N :: 120.68(3.68) W6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 W 0.15 R 0.1 K 0.1 E 0.09 Q 0.08 H 0.07 P 0.03 V 0.02 L 0.01 C Shift Assignments>> C :: 177.955(D) CA :: 60.284(D) CB :: 28.414(D) 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 :: 7.865(D) 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 :: 121.977(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) M7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 R 0.15 E 0.14 K 0.11 H 0.11 M 0.1 V 0.07 Q 0.07 I 0.03 HN Overlap>> E12 L106 C Shift Assignments>> C :: 178.450(D) CA :: 58.569(D) CB :: 31.369(D) 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 :: 8.319(D) 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 :: 119.190(D) Ave N Shift Values>> N :: 120.1(3.88) T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.989(D) CA :: 66.521(D) CB :: 68.021(D) 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 :: 8.038(D) 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 :: 117.210(D) Ave N Shift Values>> N :: 115.7(5.05) T9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.997 CA :: 66.459(D) CB :: 68.251(D) 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 :: 7.709(D) 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 :: 119.812(D) Ave N Shift Values>> N :: 115.7(5.05) F10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 Y 0.26 F 0.23 E 0.04 HN Overlap>> L129 A130 C Shift Assignments>> C :: 176.848 CA :: 60.629(D) CB :: 38.331 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 :: 8.101(D) 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 :: 121.719(D) Ave N Shift Values>> N :: 120.69(4.18) R11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 W 0.18 E 0.13 K 0.11 R 0.09 Q 0.09 H 0.09 V 0.03 M 0.02 C Shift Assignments>> C :: 178.604 CA :: 59.885(D) CB :: 29.190(D) 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 :: 8.210(D) 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 :: 118.794(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 W 0.14 R 0.14 Q 0.13 I 0.12 E 0.12 H 0.1 L 0.04 M 0.01 HN Overlap>> M7 L106 L163 C Shift Assignments>> C :: 179.056(D) CA :: 58.718(D) CB :: 28.315(D) 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 :: 8.224(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.134(D) Ave N Shift Values>> N :: 120.68(3.68) N13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 E 0.21 Y 0.2 F 0.12 M 0.06 D 0.06 I 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 179.598(D) CA :: 55.218(D) CB :: 37.301(D) 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 :: 8.198(D) 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 :: 119.591(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 V 0.16 Y 0.02 F 0.02 C Shift Assignments>> C :: 177.346(D) CA :: 65.840(D) CB :: 36.865(D) 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 :: 7.949(D) 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 :: 124.921(D) Ave N Shift Values>> N :: 121.6(4.72) A15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.27 I 0.06 HN Overlap>> T138 C Shift Assignments>> C :: 179.995(D) CA :: 55.445(D) CB :: 17.427(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.180(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.933(D) Ave N Shift Values>> N :: 123.23(3.7) Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 K 0.13 Q 0.13 W 0.11 I 0.11 H 0.09 E 0.09 L 0.09 HN Overlap>> N80 C Shift Assignments>> C :: 177.587(D) CA :: 58.251(D) CB :: 27.670(D) 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 :: 8.342(D) 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 :: 116.052(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.861(D) CA :: 66.839(D) CB :: 67.592 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 :: 7.239(D) 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 :: 116.424(D) Ave N Shift Values>> N :: 115.7(5.05) W18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.17 R 0.14 H 0.13 Q 0.12 K 0.1 I 0.05 M 0.04 V 0.02 C Shift Assignments>> C :: 176.042(D) CA :: 58.376(D) CB :: 29.924(D) 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 :: 7.294(D) 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 :: 117.647(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.15 W 0.15 E 0.15 H 0.14 R 0.11 I 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 177.292(D) CA :: 57.576(D) CB :: 29.195(D) 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 :: 8.174(D) 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 :: 112.360(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 Q 0.15 K 0.14 R 0.12 L 0.11 W 0.1 E 0.05 M 0.04 P 0.03 C Shift Assignments>> C :: 171.654 CA :: 52.542(D) CB :: 28.598(D) 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 :: 7.741(D) 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 :: 116.892(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.33 I 0.13 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 176.287(D) CA :: 63.260(D) CB :: 31.061(D) 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) E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.2 R 0.12 H 0.11 W 0.1 Q 0.1 E 0.08 V 0.02 C Shift Assignments>> C :: 176.000 CA :: 55.891(D) CB :: 32.398 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 :: 8.247(D) 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 :: 118.360(D) Ave N Shift Values>> N :: 120.68(3.68) H23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 K 0.18 H 0.13 R 0.12 Q 0.1 W 0.09 E 0.05 C Shift Assignments>> C :: 173.536(D) CA :: 53.734(D) CB :: 32.468(D) 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 :: 7.972(D) 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 :: 115.177(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 F 0.18 Y 0.18 N 0.14 L 0.14 K 0.04 I 0.02 C Shift Assignments>> C :: 174.143(D) CA :: 55.423(D) CB :: 39.998(D) 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 :: 7.980(D) 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 :: 118.597(D) Ave N Shift Values>> N :: 120.79(4.69) D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.11 R 0.01 C Shift Assignments>> C :: 175.162(D) CA :: 53.118(D) CB :: 45.773(D) 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 :: 8.766(D) 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 :: 120.647(D) Ave N Shift Values>> N :: 120.73(4.2) L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.11 R 0.02 D 0.01 C Shift Assignments>> C :: 175.064(D) CA :: 53.198(D) CB :: 45.583(D) 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 :: 9.055(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.354(D) Ave N Shift Values>> N :: 121.98(4.07) Y27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.15 L 0.14 K 0.1 I 0.04 N 0.03 R 0.01 C Shift Assignments>> C :: 175.465(D) CA :: 56.909(D) CB :: 40.373(D) 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 :: 8.601(D) 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 :: 124.676(D) Ave N Shift Values>> N :: 120.79(4.69) I28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.16 L 0.13 K 0.08 I 0.04 N 0.04 R 0.01 C Shift Assignments>> C :: 173.888 CA :: 56.764(D) CB :: 40.244(D) 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 :: 9.144(D) 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 :: 120.359(D) Ave N Shift Values>> N :: 121.6(4.72) P29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.46 V 0.39 I 0.07 W 0.03 C Shift Assignments>> C :: 173.783(D) CA :: 63.582(D) CB :: 31.750(D) 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) A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 M 0.24 L 0.06 C Shift Assignments>> C :: 175.399 CA :: 52.956(D) CB :: 20.524(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.973(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.120(D) Ave N Shift Values>> N :: 123.23(3.7) I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.32 Y 0.24 I 0.18 K 0.13 L 0.05 R 0.03 D 0.01 C Shift Assignments>> C :: 172.790 CA :: 59.890(D) CB :: 41.045(D) 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 :: 7.661(D) 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 :: 113.647(D) Ave N Shift Values>> N :: 121.6(4.72) T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.786 CA :: 59.461 CB :: 70.603 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 :: 8.256 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 :: 119.001 Ave N Shift Values>> N :: 115.7(5.05) W33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.17 K 0.15 W 0.13 R 0.13 E 0.12 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 173.870 CA :: 55.505(D) CB :: 29.416(D) 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 :: 8.584 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 :: 123.901 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) H34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.16 R 0.15 W 0.14 E 0.14 K 0.12 M 0.07 I 0.01 C Shift Assignments>> C :: 174.439(D) CA :: 55.810(D) CB :: 29.872(D) 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 :: 7.967(D) 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 :: 126.065(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 177.551(D) CA :: 52.388(D) CB :: 18.921(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.111(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.462(D) Ave N Shift Values>> N :: 123.23(3.7) R36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 R 0.14 W 0.14 E 0.14 K 0.12 M 0.06 I 0.01 C Shift Assignments>> C :: 176.157(D) CA :: 55.941(D) CB :: 29.823(D) 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 :: 8.455(D) 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 :: 120.350(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.27 I 0.11 E 0.09 D 0.06 N 0.05 L 0.03 M 0.01 HN Overlap>> Y47 C Shift Assignments>> C :: 175.384(D) CA :: 57.250(D) CB :: 38.540(D) 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 :: 8.009(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.739(D) Ave N Shift Values>> N :: 120.69(4.18) A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 176.924(D) CA :: 52.042(D) CB :: 18.546(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.857(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.570(D) Ave N Shift Values>> N :: 123.23(3.7) Y39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.32 F 0.22 E 0.19 I 0.13 N 0.03 D 0.03 M 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 175.417(D) CA :: 57.565(D) CB :: 37.830(D) 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 :: 7.732(D) 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 :: 118.975(D) Ave N Shift Values>> N :: 120.79(4.69) D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.18 N 0.17 K 0.09 F 0.09 Y 0.08 R 0.01 HN Overlap>> K41 W90 C Shift Assignments>> C :: 176.254(D) CA :: 53.873(D) CB :: 40.816(D) 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 :: 7.979(D) 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 :: 122.147(D) Ave N Shift Values>> N :: 120.73(4.2) K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.17 R 0.15 W 0.13 H 0.13 E 0.11 Q 0.07 V 0.02 HN Overlap>> D40 W90 C Shift Assignments>> C :: 176.743(D) CA :: 56.578(D) CB :: 31.869(D) 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 :: 7.987(D) 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 :: 122.131(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 W 0.14 R 0.12 M 0.04 I 0.02 L 0.02 C Shift Assignments>> C :: 176.641(D) CA :: 56.494(D) CB :: 29.302(D) 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 :: 8.180(D) 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 :: 120.554(D) Ave N Shift Values>> N :: 120.68(3.68) K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.17 R 0.15 H 0.13 W 0.12 E 0.1 Q 0.07 V 0.01 HN Overlap>> E49 C Shift Assignments>> C :: 176.625(D) CA :: 55.940(D) CB :: 31.869(D) 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 :: 7.969(D) 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 :: 121.565(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.281(D) CA :: 61.650(D) CB :: 69.204(D) 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 :: 7.877(D) 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 :: 115.088(D) Ave N Shift Values>> N :: 115.7(5.05) D45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.18 L 0.17 F 0.1 Y 0.09 K 0.07 R 0.01 C Shift Assignments>> C :: 176.012(D) CA :: 54.082(D) CB :: 40.583(D) 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 :: 8.162(D) 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 :: 123.106(D) Ave N Shift Values>> N :: 120.73(4.2) R46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.16 R 0.14 W 0.14 E 0.13 K 0.12 M 0.07 I 0.01 HN Overlap>> Y47 C Shift Assignments>> C :: 175.895(D) CA :: 55.718(D) CB :: 29.827(D) 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 :: 7.889(D) 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 :: 120.796(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.23 E 0.16 I 0.12 N 0.04 D 0.04 M 0.02 L 0.01 HN Overlap>> F37 R46 C Shift Assignments>> C :: 175.301(D) CA :: 57.392(D) CB :: 38.009(D) 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 :: 7.926(D) 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 :: 120.701(D) Ave N Shift Values>> N :: 120.79(4.69) N48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.21 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.567(D) CA :: 52.895(D) CB :: 38.757(D) 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 :: 8.180(D) 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 :: 120.403(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.15 Q 0.15 W 0.14 E 0.14 K 0.11 M 0.08 I 0.01 HN Overlap>> K43 C Shift Assignments>> C :: 175.011 CA :: 55.754(D) CB :: 30.029(D) 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 :: 8.039(D) 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 :: 121.574(D) Ave N Shift Values>> N :: 120.68(3.68) R50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.23 Q 0.16 R 0.13 K 0.13 W 0.12 E 0.08 M 0.08 L 0.02 C Shift Assignments>> C :: 173.759 CA :: 53.211(D) CB :: 29.558(D) 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 :: 8.055(D) 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 :: 122.725(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.28 P 0.25 I 0.15 W 0.11 R 0.05 E 0.04 H 0.02 K 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 175.436(D) CA :: 61.901(D) CB :: 30.928(D) 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) W52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 W 0.15 E 0.14 Q 0.12 M 0.11 K 0.09 V 0.01 I 0.01 C Shift Assignments>> C :: 175.250(D) CA :: 56.418(D) CB :: 30.748(D) 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 :: 8.308(D) 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 :: 121.379(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 170.835(D) CA :: 45.006(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.770(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.219(D) Ave N Shift Values>> N :: 109.91(4.29) G54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.892(D) CA :: 44.827(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.217(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 128.920(S) Ave N Shift Values>> N :: 109.91(4.29) G55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 170.721(D) CA :: 46.269(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.473(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.880(D) Ave N Shift Values>> N :: 109.91(4.29) F56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.31 G 0.13 D 0.07 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 173.584(D) CA :: 55.426(D) CB :: 43.796(D) 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 :: 8.914(D) 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 :: 119.353(D) Ave N Shift Values>> N :: 120.69(4.18) G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 171.664(D) CA :: 46.641(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.902(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.880(D) Ave N Shift Values>> N :: 109.91(4.29) L58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.15 R 0.04 D 0.02 C Shift Assignments>> C :: 177.274(D) CA :: 52.831(D) CB :: 45.013(D) 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 :: 8.864(D) 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 :: 118.344(D) Ave N Shift Values>> N :: 121.98(4.07) S59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.254(D) CA :: 57.276(D) CB :: 65.537(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.645(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.097(D) Ave N Shift Values>> N :: 116.3(3.95) R60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.18 H 0.14 R 0.14 W 0.1 E 0.07 Q 0.07 V 0.01 HN Overlap>> M158 C Shift Assignments>> C :: 171.697(D) CA :: 54.706(D) CB :: 32.146(D) 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 :: 8.697(D) 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 :: 116.682(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.17 K 0.14 R 0.13 W 0.12 E 0.1 M 0.07 L 0.02 C Shift Assignments>> C :: 177.845(D) CA :: 54.324 CB :: 29.516 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 :: 8.369 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 :: 121.554 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.19 L 0.19 K 0.08 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 178.112(D) CA :: 52.219(D) CB :: 41.360(D) 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 :: 9.251(D) 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 :: 123.345(D) Ave N Shift Values>> N :: 120.73(4.2) E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 K 0.14 W 0.13 I 0.13 Q 0.13 E 0.1 H 0.09 L 0.05 M 0.01 C Shift Assignments>> C :: 177.865(D) CA :: 58.632(D) CB :: 27.982(D) 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 :: 9.139(D) 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 :: 118.874(D) Ave N Shift Values>> N :: 120.68(3.68) K64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 R 0.14 H 0.13 W 0.12 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 176.511(D) CA :: 55.904(D) CB :: 31.989(D) 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 :: 8.034(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.703(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 L 0.24 R 0.2 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.023(D) CA :: 44.444(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.258(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.452(D) Ave N Shift Values>> N :: 109.91(4.29) N66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.69 D 0.12 Y 0.06 F 0.04 E 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 174.241(D) CA :: 52.212(D) CB :: 37.932(D) 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 :: 8.339(D) 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 :: 120.790(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.17 R 0.14 H 0.13 Q 0.12 K 0.1 I 0.05 M 0.05 V 0.02 C Shift Assignments>> C :: 173.623(D) CA :: 58.285(D) CB :: 29.994(D) 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 :: 7.581(D) 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 :: 123.144(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) H68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 Q 0.19 K 0.16 E 0.12 N 0.07 H 0.03 Y 0.02 W 0.02 R 0.01 C Shift Assignments>> C :: 173.805 CA :: 53.638(D) CB :: 34.805(D) 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 :: 7.187(D) 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 :: 123.258(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.3 G 0.18 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.082(D) CA :: 43.786(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.150(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.233(D) Ave N Shift Values>> N :: 109.91(4.29) L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.18 R 0.06 D 0.03 C Shift Assignments>> C :: 175.710(D) CA :: 52.785(D) CB :: 44.786(D) 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 :: 8.868(D) 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 :: 122.719(D) Ave N Shift Values>> N :: 121.98(4.07) Y71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 K 0.2 D 0.2 F 0.13 Y 0.1 R 0.06 N 0.04 I 0.01 HN Overlap>> R115 C Shift Assignments>> C :: 172.382(D) CA :: 55.672(D) CB :: 41.359(D) 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 :: 8.379(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.409(D) Ave N Shift Values>> N :: 120.79(4.69) A72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.11 L 0.04 C Shift Assignments>> C :: 175.065(D) CA :: 50.857(D) CB :: 20.762(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.559(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.168(D) Ave N Shift Values>> N :: 123.23(3.7) M73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 Y 0.13 D 0.12 F 0.08 E 0.06 M 0.02 L 0.02 I 0.01 C Shift Assignments>> C :: 173.345(D) CA :: 53.742(D) CB :: 37.849(D) 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 :: 9.220(D) 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 :: 119.940(D) Ave N Shift Values>> N :: 120.1(3.88) A74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.6 L 0.23 M 0.14 K 0.01 C Shift Assignments>> C :: 175.058(D) CA :: 51.088(D) CB :: 21.987(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.449(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.293(D) Ave N Shift Values>> N :: 123.23(3.7) F75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.21 K 0.2 F 0.09 R 0.09 Y 0.07 N 0.04 C Shift Assignments>> C :: 173.525(D) CA :: 55.132(D) CB :: 41.733(D) 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 :: 7.887(D) 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 :: 116.675(D) Ave N Shift Values>> N :: 120.69(4.18) K76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 K 0.18 H 0.14 R 0.13 W 0.1 Q 0.07 E 0.07 V 0.01 C Shift Assignments>> C :: 175.999(D) CA :: 54.468(D) CB :: 32.186(D) 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 :: 8.235(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.466(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.23 N 0.13 K 0.1 R 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 178.400(D) CA :: 52.371(D) CB :: 41.793(D) 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 :: 8.580(D) 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 :: 126.449(D) Ave N Shift Values>> N :: 120.73(4.2) S78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.488(D) CA :: 60.565(D) CB :: 61.997(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295(D) 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 :: 114.226(D) Ave N Shift Values>> N :: 116.3(3.95) W79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 Q 0.15 K 0.15 L 0.12 H 0.11 W 0.1 E 0.08 I 0.04 M 0.01 C Shift Assignments>> C :: 175.518(D) CA :: 56.881(D) CB :: 27.789(D) 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 :: 8.381(D) 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 :: 123.482(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) N80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 E 0.15 Y 0.13 M 0.07 F 0.07 D 0.06 K 0.02 I 0.01 HN Overlap>> Q16 C Shift Assignments>> C :: 173.829(D) CA :: 53.988(D) CB :: 37.063(D) 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 :: 8.292(D) 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 :: 116.113(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.19 Q 0.14 H 0.12 R 0.1 W 0.08 E 0.04 C Shift Assignments>> C :: 176.303(D) CA :: 53.884(D) CB :: 32.705(D) 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 :: 8.170(D) 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 :: 120.115(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 E 0.16 R 0.15 H 0.14 Q 0.13 K 0.1 M 0.06 I 0.03 V 0.01 C Shift Assignments>> C :: 177.361 CA :: 57.593(D) CB :: 30.003(D) 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 :: 8.651(D) 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 :: 122.977(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 P 0.15 Q 0.13 K 0.12 W 0.1 R 0.09 L 0.07 M 0.05 E 0.04 C Shift Assignments>> C :: 173.581 CA :: 51.810 CB :: 28.961 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 :: 9.478 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 :: 125.575 Ave N Shift Values>> N :: 120.68(3.68) P84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.28 W 0.14 K 0.11 R 0.09 M 0.07 E 0.07 P 0.06 H 0.05 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.009(D) CA :: 60.256(D) CB :: 32.379(D) 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) I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.25 I 0.19 K 0.11 L 0.05 R 0.02 D 0.01 C Shift Assignments>> C :: 171.959(D) CA :: 59.790(D) CB :: 40.851(D) 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 :: 9.166(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.869(D) Ave N Shift Values>> N :: 121.6(4.72) A86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.09 L 0.06 C Shift Assignments>> C :: 175.605(D) CA :: 49.948(D) CB :: 21.289(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.250(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.864(D) Ave N Shift Values>> N :: 123.23(3.7) G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 169.154(D) CA :: 46.534(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.333(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.904(D) Ave N Shift Values>> N :: 109.91(4.29) Y88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.22 R 0.16 K 0.14 F 0.05 Y 0.04 N 0.03 G 0.01 C Shift Assignments>> C :: 176.167(D) CA :: 54.077(D) CB :: 42.432(D) 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 :: 8.724(D) 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 :: 118.839(D) Ave N Shift Values>> N :: 120.79(4.69) G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 L 0.3 G 0.09 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 167.756(D) CA :: 43.423(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.511(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.998(D) Ave N Shift Values>> N :: 109.91(4.29) W90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 M 0.18 R 0.16 W 0.12 K 0.11 Q 0.1 E 0.1 HN Overlap>> D40 K41 C Shift Assignments>> C :: 175.843(D) CA :: 54.623(D) CB :: 31.120(D) 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 :: 8.080(D) 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 :: 122.133(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 Q 0.26 K 0.22 H 0.05 W 0.05 R 0.05 E 0.02 V 0.01 Y 0.01 C Shift Assignments>> C :: 176.343(D) CA :: 54.998(D) CB :: 33.822(D) 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 :: 7.749(D) 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 :: 121.519(D) Ave N Shift Values>> N :: 120.68(3.68) S92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.303(D) CA :: 57.082(D) CB :: 62.366(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.473(D) 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 :: 121.745(D) Ave N Shift Values>> N :: 116.3(3.95) T93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.777(D) CA :: 61.854(D) CB :: 70.058(D) 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 :: 7.929(D) 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 :: 123.679(D) Ave N Shift Values>> N :: 115.7(5.05) W94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 M 0.18 Q 0.13 W 0.11 R 0.11 H 0.08 E 0.08 V 0.06 C Shift Assignments>> C :: 175.354(D) CA :: 57.607(D) CB :: 32.695(D) 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 :: 9.954(D) 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 :: 128.750(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.23 Q 0.16 K 0.13 R 0.13 W 0.12 E 0.08 M 0.07 L 0.03 C Shift Assignments>> C :: 174.884 CA :: 53.099(D) CB :: 29.450(D) 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 :: 8.892(D) 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 :: 122.863(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.45 V 0.44 I 0.05 W 0.02 C Shift Assignments>> C :: 176.044 CA :: 63.468 CB :: 32.286 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) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 N 0.12 K 0.11 R 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.329 CA :: 52.676 CB :: 41.802 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 :: 8.716 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.168 Ave N Shift Values>> N :: 121.98(4.07) A98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.46 I 0.01 C Shift Assignments>> C :: 178.836(D) CA :: 54.064(D) CB :: 17.231(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.581(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.547(D) Ave N Shift Values>> N :: 123.23(3.7) D99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.41 D 0.33 L 0.08 F 0.07 Y 0.07 K 0.01 C Shift Assignments>> C :: 176.699(D) CA :: 52.708(D) CB :: 39.807(D) 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 :: 7.010(D) 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 :: 114.316(D) Ave N Shift Values>> N :: 120.73(4.2) E100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 Q 0.16 W 0.13 H 0.13 R 0.13 E 0.12 I 0.04 L 0.04 M 0.02 C Shift Assignments>> C :: 175.671 CA :: 57.286(D) CB :: 28.576 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 :: 8.686(D) 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 :: 128.531(D) Ave N Shift Values>> N :: 120.68(3.68) N101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 E 0.15 Y 0.15 F 0.08 D 0.07 M 0.06 K 0.02 I 0.01 L 0.01 C Shift Assignments>> C :: 176.177(D) CA :: 54.304(D) CB :: 37.248(D) 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 :: 8.545(D) 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 :: 116.447(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.27 I 0.13 E 0.1 D 0.04 N 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 173.780(D) CA :: 57.635(D) CB :: 38.391(D) 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 :: 7.295(D) 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 :: 121.149(D) Ave N Shift Values>> N :: 120.69(4.18) H103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.22 P 0.18 R 0.12 Q 0.11 W 0.11 M 0.09 K 0.08 E 0.05 L 0.01 C Shift Assignments>> C :: 170.864 CA :: 51.859(D) CB :: 29.863 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 :: 7.764(D) 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 :: 122.529(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.17 R 0.05 D 0.02 C Shift Assignments>> C :: 175.181(D) CA :: 53.658(D) CB :: 45.152(D) 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 :: 8.705(D) 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 :: 122.113(D) Ave N Shift Values>> N :: 121.98(4.07) G105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.15 R 0.08 F 0.01 C Shift Assignments>> C :: 171.960(D) CA :: 44.956(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.801(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.398(D) Ave N Shift Values>> N :: 109.91(4.29) L106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.1 HN Overlap>> M7 E12 L163 C Shift Assignments>> C :: 175.937(D) CA :: 53.534(D) CB :: 47.035(D) 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 :: 8.269(D) 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 :: 119.199(D) Ave N Shift Values>> N :: 121.98(4.07) G107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 HN Overlap>> T109 C Shift Assignments>> C :: 172.126(D) CA :: 46.621(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.354(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.947(D) Ave N Shift Values>> N :: 109.91(4.29) F108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.23 D 0.16 R 0.11 F 0.11 Y 0.09 N 0.02 C Shift Assignments>> C :: 171.723(D) CA :: 55.954(D) CB :: 41.817(D) 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 :: 9.183(D) 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 :: 121.747(D) Ave N Shift Values>> N :: 120.69(4.18) T109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> G107 C Shift Assignments>> C :: 170.978(D) CA :: 57.415(D) CB :: 70.740(D) 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 :: 9.461(D) 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 :: 112.916(D) Ave N Shift Values>> N :: 115.7(5.05) A110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.08 L 0.06 G 0.02 C Shift Assignments>> C :: 175.434(D) CA :: 49.541(D) CB :: 21.366(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.484(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.192(D) Ave N Shift Values>> N :: 123.23(3.7) G111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 171.621(D) CA :: 45.130(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.944(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.232(D) Ave N Shift Values>> N :: 109.91(4.29) V112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.23 K 0.15 Q 0.14 M 0.14 V 0.11 Y 0.05 I 0.05 W 0.04 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 173.550(D) CA :: 58.944(D) CB :: 34.781(D) 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 :: 9.162(D) 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 :: 115.540(D) Ave N Shift Values>> N :: 121.02(4.96) T113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.041(D) CA :: 58.059(D) CB :: 70.942(D) 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 :: 8.447(D) 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 :: 116.846(D) Ave N Shift Values>> N :: 115.7(5.05) A114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.12 L 0.04 C Shift Assignments>> C :: 176.139(D) CA :: 51.067(D) CB :: 20.671(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.795(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.888(D) Ave N Shift Values>> N :: 123.23(3.7) R115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.17 R 0.15 H 0.14 W 0.11 E 0.09 Q 0.07 V 0.01 HN Overlap>> Y71 C Shift Assignments>> C :: 177.194 CA :: 55.411(D) CB :: 31.911(D) 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 :: 8.292(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.382(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.31 Y 0.21 F 0.14 D 0.13 E 0.09 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 175.858(D) CA :: 54.982(D) CB :: 38.105(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) N117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 D 0.13 Y 0.09 F 0.06 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.736 CA :: 52.962(D) CB :: 37.908(D) 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 :: 8.559(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.987(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 Q 0.16 K 0.16 H 0.12 L 0.1 W 0.1 E 0.09 I 0.03 M 0.01 C Shift Assignments>> C :: 175.324(D) CA :: 56.554(D) CB :: 28.007(D) 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 :: 7.252 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 :: 119.510 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) N119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 D 0.17 Y 0.1 F 0.08 E 0.03 L 0.03 M 0.01 C Shift Assignments>> C :: 173.745 CA :: 53.360(D) CB :: 38.308(D) 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 :: 7.918(D) 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 :: 117.469(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> E 0.28 K 0.14 M 0.14 Q 0.12 V 0.08 Y 0.07 I 0.05 W 0.03 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 173.657(D) CA :: 58.678(D) CB :: 35.063 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) I121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.21 E 0.2 I 0.18 M 0.02 D 0.01 N 0.01 K 0.01 C Shift Assignments>> C :: 174.759 CA :: 58.362(D) CB :: 37.636(D) 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 :: 7.421(D) 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 :: 119.799(D) Ave N Shift Values>> N :: 121.6(4.72) P122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.36 P 0.35 I 0.09 W 0.07 R 0.03 E 0.02 K 0.01 H 0.01 M 0.01 C Shift Assignments>> C :: 175.129 CA :: 62.349(D) CB :: 31.569(D) 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) L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.26 L 0.26 D 0.21 R 0.12 N 0.04 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.861(D) CA :: 51.198(D) CB :: 43.139(D) 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 :: 8.549(D) 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 :: 122.834(D) Ave N Shift Values>> N :: 121.98(4.07) P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.36 P 0.26 W 0.1 I 0.08 R 0.04 E 0.03 K 0.03 M 0.02 H 0.02 Q 0.01 C Shift Assignments>> C :: 175.275 CA :: 61.741 CB :: 31.788 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) V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 E 0.11 K 0.11 Q 0.1 M 0.08 I 0.06 W 0.05 Y 0.03 P 0.03 R 0.02 H 0.01 C Shift Assignments>> C :: 173.345(D) CA :: 60.464(D) CB :: 34.304(D) 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 :: 8.674(D) 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 :: 117.976(D) Ave N Shift Values>> N :: 121.02(4.96) L126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.23 G 0.21 D 0.1 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 174.950(D) CA :: 54.023(D) CB :: 43.927(D) 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 :: 7.282(D) 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 :: 126.373(D) Ave N Shift Values>> N :: 121.98(4.07) L127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.63 L 0.17 R 0.08 D 0.07 C Shift Assignments>> C :: 174.372 CA :: 51.416(D) CB :: 44.070(D) 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 :: 8.834(D) 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 :: 123.900(D) Ave N Shift Values>> N :: 121.98(4.07) P128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.27 W 0.08 I 0.05 K 0.03 R 0.03 E 0.02 M 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.135 CA :: 61.791(D) CB :: 32.348(D) 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) L129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.1 HN Overlap>> F10 A130 C Shift Assignments>> C :: 174.115(D) CA :: 53.511(D) CB :: 46.769(D) 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 :: 8.050(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.768(D) Ave N Shift Values>> N :: 121.98(4.07) A130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.53 L 0.3 M 0.13 K 0.02 HN Overlap>> F10 L129 C Shift Assignments>> C :: 175.191(D) CA :: 50.722(D) CB :: 22.336(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.107(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.742(D) Ave N Shift Values>> N :: 123.23(3.7) S131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.412 CA :: 57.424(D) CB :: 65.326(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.827(D) 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 :: 113.918(D) Ave N Shift Values>> N :: 116.3(3.95) V132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.19 K 0.17 Q 0.17 M 0.14 E 0.09 W 0.07 R 0.04 H 0.03 I 0.02 Y 0.02 C Shift Assignments>> C :: 172.478(D) CA :: 59.369(D) CB :: 33.869(D) 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 :: 8.620(D) 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 :: 115.529(D) Ave N Shift Values>> N :: 121.02(4.96) G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.760(D) CA :: 45.357(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.707(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.765(D) Ave N Shift Values>> N :: 109.91(4.29) Y134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.19 L 0.18 K 0.18 Y 0.17 D 0.16 R 0.03 N 0.03 I 0.02 C Shift Assignments>> C :: 169.510(D) CA :: 56.570(D) CB :: 40.914(D) 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 :: 8.361(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.614(D) Ave N Shift Values>> N :: 120.79(4.69) G135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 G 0.29 L 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 175.506(D) CA :: 44.065(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.883(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.295(D) Ave N Shift Values>> N :: 109.91(4.29) P136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.44 I 0.04 W 0.02 C Shift Assignments>> C :: 174.512 CA :: 63.595(D) CB :: 32.524(D) 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) V137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 P 0.32 I 0.04 C Shift Assignments>> C :: 173.114 CA :: 65.840(D) CB :: 32.442(D) 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 :: 7.621(D) 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 :: 124.135(D) Ave N Shift Values>> N :: 121.02(4.96) T138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> A15 C Shift Assignments>> C :: 173.162(D) CA :: 61.923(D) CB :: 70.577(D) 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 :: 8.180(D) 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 :: 122.933(D) Ave N Shift Values>> N :: 115.7(5.05) F139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.26 D 0.15 N 0.09 L 0.07 I 0.06 E 0.03 K 0.01 C Shift Assignments>> C :: 171.570(D) CA :: 56.489(D) CB :: 39.219(D) 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 :: 9.135(D) 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 :: 130.192(D) Ave N Shift Values>> N :: 120.69(4.18) Q140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.35 K 0.2 H 0.13 R 0.1 W 0.08 Q 0.03 E 0.03 P 0.02 C Shift Assignments>> C :: 171.849(D) CA :: 52.975(D) CB :: 32.808(D) 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 :: 8.136(D) 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 :: 130.189(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 E 0.15 Y 0.11 M 0.09 F 0.05 D 0.04 K 0.03 C Shift Assignments>> C :: 170.778 CA :: 53.540(D) CB :: 36.802(D) 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 :: 8.455(D) 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 :: 119.516(D) Ave N Shift Values>> N :: 120.1(3.88) T142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.230(D) CA :: 59.418(D) CB :: 70.406(D) 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 :: 8.467(D) 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 :: 112.432(D) Ave N Shift Values>> N :: 115.7(5.05) Y143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.21 D 0.16 R 0.15 F 0.09 Y 0.07 N 0.02 C Shift Assignments>> C :: 172.123(D) CA :: 55.569(D) CB :: 42.162(D) 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 :: 7.728(D) 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 :: 124.262(D) Ave N Shift Values>> N :: 120.79(4.69) I144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 E 0.24 F 0.18 I 0.1 N 0.04 M 0.04 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 172.535(D) CA :: 57.272(D) CB :: 37.514(D) 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 :: 8.267(D) 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 :: 125.856(D) Ave N Shift Values>> N :: 121.6(4.72) P145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.3 W 0.07 I 0.05 R 0.03 K 0.03 E 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 177.138 CA :: 62.000(D) CB :: 32.330(D) 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) G146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 177.131(D) CA :: 46.169(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.924(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.626(D) Ave N Shift Values>> N :: 109.91(4.29) T147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.007(D) CA :: 62.149(D) CB :: 68.750(D) 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 :: 7.324(D) 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 :: 111.385(D) Ave N Shift Values>> N :: 115.7(5.05) Y148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 E 0.26 F 0.18 I 0.12 M 0.04 N 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 174.935(D) CA :: 57.671(D) CB :: 37.401(D) 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 :: 7.723(D) 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 :: 121.290(D) Ave N Shift Values>> N :: 120.79(4.69) N149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.23 F 0.17 D 0.14 E 0.08 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 175.739 CA :: 55.248 CB :: 38.318 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 :: 8.460 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 :: 119.972 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.12 Y 0.09 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.126(D) CA :: 53.005(D) CB :: 37.791(D) 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 :: 8.144 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.453 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.59 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.998(D) CA :: 44.652(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.450(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.008(D) Ave N Shift Values>> N :: 109.91(4.29) N152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 Y 0.14 D 0.11 F 0.09 E 0.08 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 174.052 CA :: 54.022(D) CB :: 37.752(D) 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 :: 8.180(D) 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 :: 116.808(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 V 0.16 K 0.12 M 0.11 Q 0.11 I 0.08 Y 0.06 W 0.03 F 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 173.113 CA :: 59.628 CB :: 34.893 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 :: 7.039 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 :: 116.478 Ave N Shift Values>> N :: 121.02(4.96) Y154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.26 D 0.14 N 0.09 L 0.07 I 0.06 E 0.03 K 0.01 C Shift Assignments>> C :: 174.590(D) CA :: 56.538(D) CB :: 39.202(D) 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 :: 8.406 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 :: 123.361 Ave N Shift Values>> N :: 120.79(4.69) F155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.19 K 0.19 R 0.14 F 0.07 Y 0.06 N 0.03 C Shift Assignments>> C :: 171.801(D) CA :: 54.966(D) CB :: 42.155(D) 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 :: 8.097(D) 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 :: 125.810(D) Ave N Shift Values>> N :: 120.69(4.18) A156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.4 P 0.29 A 0.1 K 0.07 M 0.05 G 0.04 R 0.01 C Shift Assignments>> C :: 175.675(D) CA :: 49.596(D) CB :: 23.856(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.577(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.612(D) Ave N Shift Values>> N :: 123.23(3.7) W157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 R 0.16 H 0.16 K 0.13 W 0.12 E 0.11 Q 0.09 V 0.01 C Shift Assignments>> C :: 171.938 CA :: 55.445(D) CB :: 31.392(D) 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 :: 8.529(D) 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 :: 120.569(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) M158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.21 K 0.16 H 0.06 P 0.04 R 0.04 W 0.04 E 0.03 N 0.03 HN Overlap>> R60 C Shift Assignments>> C :: 174.679(D) CA :: 52.536(D) CB :: 33.916(D) 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 :: 8.649(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.662(D) Ave N Shift Values>> N :: 120.1(3.88) R159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 K 0.19 Q 0.15 H 0.11 R 0.1 W 0.07 E 0.03 C Shift Assignments>> C :: 174.907(D) CA :: 53.581(D) CB :: 32.809(D) 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 :: 9.315(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.635(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.2 K 0.14 F 0.14 Y 0.12 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 173.713(D) CA :: 55.332(D) CB :: 40.883(D) 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 :: 9.324(D) 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 :: 128.188(D) Ave N Shift Values>> N :: 120.69(4.18) Q161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 H 0.17 R 0.16 W 0.13 K 0.12 E 0.11 Q 0.1 C Shift Assignments>> C :: 174.758(D) CA :: 55.217(D) CB :: 31.202(D) 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 :: 8.567(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.157(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.2 Y 0.19 L 0.15 D 0.1 R 0.04 I 0.04 N 0.01 C Shift Assignments>> C :: 175.481 CA :: 57.386(D) CB :: 41.021(D) 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 :: 8.921(D) 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 :: 125.076(D) Ave N Shift Values>> N :: 120.69(4.18) L163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.21 K 0.17 D 0.14 F 0.07 Y 0.05 N 0.01 G 0.01 HN Overlap>> E12 L106 C Shift Assignments>> C :: 176.223(D) CA :: 55.387(D) CB :: 42.574(D) 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 :: 8.159(D) 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 :: 119.188(D) Ave N Shift Values>> N :: 121.98(4.07) E164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 Q 0.15 W 0.14 E 0.13 K 0.1 M 0.09 I 0.01 C Shift Assignments>> C :: 175.814 CA :: 55.583(D) CB :: 30.195(D) 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 :: 8.502(D) 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 :: 123.575(D) Ave N Shift Values>> N :: 120.68(3.68) H165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.15 R 0.15 W 0.14 E 0.14 K 0.11 M 0.07 I 0.01 C Shift Assignments>> CA :: 55.781 CB :: 30.008 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 :: 8.310 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 :: 123.252 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H170 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 14 #Clerical: 155 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 164 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 170 #Suspicious: 0 C Shift Results: #Consistent: 63 #Duplicate: 413 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 11 #Duplicate: 140 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 11 #Duplicate: 139 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: N2 C = 175.240(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.6375e-01 N2 CA = 51.985(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.5637e-01 N2 CB = 38.523(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.3865e-01 A3 C = 178.528(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.3842e-01 A3 CA = 54.865(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.0786e-01 A3 CB = 17.960(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.1138e-01 A3 H = 8.899(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4402e-01 A3 N = 125.481(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.4294e-01 D4 C = 178.709(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.9399e-01 D4 CA = 56.950(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.4721e-01 D4 CB = 39.873(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.2045e-01 D4 H = 8.192(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.0870e-01 D4 N = 117.969(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.1094e-01 E5 C = 179.558(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.1295e-01 E5 CA = 58.355(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.6942e-01 E5 CB = 28.860(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.1079e-01 E5 H = 7.923(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.9422e-01 E5 N = 120.977(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.3568e-01 W6 C = 177.955(D), Expected = 176.10, Std = 1.8900, ChiSquare = 3.2636e-01 W6 CA = 60.284(D), Expected = 57.71, Std = 2.6500, ChiSquare = 3.3139e-01 W6 CB = 28.414(D), Expected = 30.16, Std = 2.1900, ChiSquare = 4.2530e-01 W6 H = 7.865(D), Expected = 8.35, Std = 0.8400, ChiSquare = 5.6368e-01 W6 N = 121.977(D), Expected = 121.87, Std = 4.5800, ChiSquare = 9.8136e-01 M7 C = 178.450(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.1279e-01 M7 CA = 58.569(D), Expected = 56.16, Std = 2.3400, ChiSquare = 3.0325e-01 M7 CB = 31.369(D), Expected = 32.90, Std = 2.2300, ChiSquare = 4.9237e-01 M7 H = 8.319(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2167e-01 M7 N = 119.190(D), Expected = 120.10, Std = 3.8800, ChiSquare = 8.1457e-01 T8 C = 175.989(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.4031e-01 T8 CA = 66.521(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.0806e-01 T8 CB = 68.021(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.4092e-01 T8 H = 8.038(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.0826e-01 T8 N = 117.210(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.6493e-01 T9 CA = 66.459(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.1315e-01 T9 CB = 68.251(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.1390e-01 T9 H = 7.709(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.6555e-01 T9 N = 119.812(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.1550e-01 F10 CA = 60.629(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.8352e-01 F10 H = 8.101(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.6641e-01 F10 N = 121.719(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.0555e-01 R11 CA = 59.885(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.2328e-01 R11 CB = 29.190(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.0625e-01 R11 H = 8.210(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.6012e-01 R11 N = 118.794(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.4147e-01 E12 C = 179.056(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.1365e-01 E12 CA = 58.718(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.5339e-01 E12 CB = 28.315(D), Expected = 30.07, Std = 1.8400, ChiSquare = 3.4018e-01 E12 H = 8.224(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.4918e-01 E12 N = 119.134(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.7441e-01 N13 C = 179.598(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.1683e-02 N13 CA = 55.218(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.5671e-01 N13 CB = 37.301(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.4518e-01 N13 H = 8.198(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.9131e-01 N13 N = 119.591(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.1693e-01 I14 C = 177.346(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.3388e-01 I14 CA = 65.840(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.2632e-01 I14 CB = 36.865(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.1189e-01 I14 H = 7.949(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.6137e-01 I14 N = 124.921(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.8168e-01 A15 C = 179.995(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.1399e-01 A15 CA = 55.445(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.6733e-01 A15 CB = 17.427(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.2591e-01 A15 H = 8.180(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.7341e-01 A15 N = 122.933(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.3602e-01 Q16 C = 177.587(D), Expected = 176.39, Std = 1.9600, ChiSquare = 5.4139e-01 Q16 CA = 58.251(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.5642e-01 Q16 CB = 27.670(D), Expected = 29.10, Std = 1.9700, ChiSquare = 4.6791e-01 Q16 H = 8.342(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.4400e-01 Q16 N = 116.052(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.3475e-01 T17 C = 171.861(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.2809e-01 T17 CA = 66.839(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.4726e-02 T17 H = 7.239(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.6332e-02 T17 N = 116.424(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.8600e-01 W18 C = 176.042(D), Expected = 176.10, Std = 1.8900, ChiSquare = 9.7552e-01 W18 CA = 58.376(D), Expected = 57.71, Std = 2.6500, ChiSquare = 8.0157e-01 W18 CB = 29.924(D), Expected = 30.16, Std = 2.1900, ChiSquare = 9.1418e-01 W18 H = 7.294(D), Expected = 8.35, Std = 0.8400, ChiSquare = 2.0870e-01 W18 N = 117.647(D), Expected = 121.87, Std = 4.5800, ChiSquare = 3.5650e-01 Q19 C = 177.292(D), Expected = 176.39, Std = 1.9600, ChiSquare = 6.4537e-01 Q19 CA = 57.576(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.6245e-01 Q19 CB = 29.195(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.6154e-01 Q19 H = 8.174(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.4086e-01 Q19 N = 112.360(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.9391e-02 Q20 CA = 52.542(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.2589e-02 Q20 CB = 28.598(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.9886e-01 Q20 H = 7.741(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.3977e-01 Q20 N = 116.892(D), Expected = 119.92, Std = 4.0100, ChiSquare = 4.5018e-01 P21 C = 176.287(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.0694e-01 P21 CA = 63.260(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.8054e-01 P21 CB = 31.061(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.2671e-01 E22 CA = 55.891(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.8507e-01 E22 H = 8.247(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.7883e-01 E22 N = 118.360(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.2841e-01 H23 C = 173.536(D), Expected = 175.19, Std = 2.1400, ChiSquare = 4.3958e-01 H23 CA = 53.734(D), Expected = 56.37, Std = 2.4000, ChiSquare = 2.7206e-01 H23 CB = 32.468(D), Expected = 29.95, Std = 2.1500, ChiSquare = 2.4153e-01 H23 H = 7.972(D), Expected = 8.25, Std = 0.7400, ChiSquare = 7.0716e-01 H23 N = 115.177(D), Expected = 119.44, Std = 4.5200, ChiSquare = 3.4561e-01 Y24 C = 174.143(D), Expected = 175.39, Std = 1.8900, ChiSquare = 5.0939e-01 Y24 CA = 55.423(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.2526e-01 Y24 CB = 39.998(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.0708e-01 Y24 H = 7.980(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.0306e-01 Y24 N = 118.597(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.4008e-01 D25 C = 175.162(D), Expected = 176.41, Std = 1.7700, ChiSquare = 4.8076e-01 D25 CA = 53.118(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.0438e-01 D25 CB = 45.773(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.3837e-03 D25 H = 8.766(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.4432e-01 D25 N = 120.647(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.8423e-01 L26 C = 175.064(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.6179e-01 L26 CA = 53.198(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.6721e-01 L26 CB = 45.583(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.4092e-02 L26 H = 9.055(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.9893e-01 L26 N = 121.354(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.7776e-01 Y27 C = 175.465(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.6835e-01 Y27 CA = 56.909(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.7388e-01 Y27 CB = 40.373(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.8648e-01 Y27 H = 8.601(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.5808e-01 Y27 N = 124.676(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.0735e-01 I28 CA = 56.764(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.2569e-02 I28 CB = 40.244(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.2593e-01 I28 H = 9.144(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.1311e-01 I28 N = 120.359(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.9261e-01 P29 C = 173.783(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.4341e-02 P29 CA = 63.582(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.6348e-01 P29 CB = 31.750(D), Expected = 31.81, Std = 1.5400, ChiSquare = 9.6892e-01 A30 CA = 52.956(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.2112e-01 A30 CB = 20.524(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.8003e-01 A30 H = 8.973(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9763e-01 A30 N = 123.120(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.7628e-01 I31 CA = 59.890(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.4086e-01 I31 CB = 41.045(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.3823e-01 I31 H = 7.661(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.9886e-01 I31 N = 113.647(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.1997e-02 W33 CA = 55.505(D), Expected = 57.71, Std = 2.6500, ChiSquare = 4.0537e-01 W33 CB = 29.416(D), Expected = 30.16, Std = 2.1900, ChiSquare = 7.3406e-01 H34 C = 174.439(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.2564e-01 H34 CA = 55.810(D), Expected = 56.37, Std = 2.4000, ChiSquare = 8.1550e-01 H34 CB = 29.872(D), Expected = 29.95, Std = 2.1500, ChiSquare = 9.7106e-01 H34 H = 7.967(D), Expected = 8.25, Std = 0.7400, ChiSquare = 7.0214e-01 H34 N = 126.065(D), Expected = 119.44, Std = 4.5200, ChiSquare = 1.4273e-01 A35 C = 177.551(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.0906e-01 A35 CA = 52.388(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.0784e-01 A35 CB = 18.921(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.9094e-01 A35 H = 8.111(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8208e-01 A35 N = 126.462(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.8238e-01 R36 C = 176.157(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.7748e-01 R36 CA = 55.941(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.7546e-01 R36 CB = 29.823(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.3630e-01 R36 H = 8.455(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.2009e-01 R36 N = 120.350(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.4685e-01 F37 C = 175.384(D), Expected = 175.49, Std = 2.1300, ChiSquare = 9.6031e-01 F37 CA = 57.250(D), Expected = 58.25, Std = 2.7300, ChiSquare = 7.1414e-01 F37 CB = 38.540(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.8945e-01 F37 H = 8.009(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.7862e-01 F37 N = 120.739(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.9065e-01 A38 C = 176.924(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.8781e-01 A38 CA = 52.042(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.8732e-01 A38 CB = 18.546(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.4825e-01 A38 H = 7.857(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6755e-01 A38 N = 124.570(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.1723e-01 Y39 C = 175.417(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.8860e-01 Y39 CA = 57.565(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.6316e-01 Y39 CB = 37.830(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.5090e-01 Y39 H = 7.732(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.9495e-01 Y39 N = 118.975(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.9876e-01 D40 C = 176.254(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.2977e-01 D40 CA = 53.873(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.5801e-01 D40 CB = 40.816(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.4462e-01 D40 H = 7.979(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.3803e-01 D40 N = 122.147(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.3583e-01 K41 C = 176.743(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.9020e-01 K41 CA = 56.578(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.0730e-01 K41 CB = 31.869(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.0923e-01 K41 H = 7.987(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.1581e-01 K41 N = 122.131(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.1324e-01 E42 C = 176.641(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.9106e-01 E42 CA = 56.494(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.7242e-01 E42 CB = 29.302(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.7639e-01 E42 H = 8.180(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9309e-01 E42 N = 120.554(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.7269e-01 K43 C = 176.625(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.3585e-01 K43 CA = 55.940(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.8916e-01 K43 CB = 31.869(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.0923e-01 K43 H = 7.969(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.9492e-01 K43 N = 121.565(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.2150e-01 T44 C = 174.281(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.5933e-01 T44 CA = 61.650(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.5415e-01 T44 CB = 69.204(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.9759e-01 T44 H = 7.877(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.2617e-01 T44 N = 115.088(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.0354e-01 D45 C = 176.012(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.2209e-01 D45 CA = 54.082(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.3478e-01 D45 CB = 40.583(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.4415e-01 D45 H = 8.162(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.6819e-01 D45 N = 123.106(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.7159e-01 R46 C = 175.895(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.8296e-01 R46 CA = 55.718(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.0921e-01 R46 CB = 29.827(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.3791e-01 R46 H = 7.889(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.5855e-01 R46 N = 120.796(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.6196e-01 Y47 C = 175.301(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.6244e-01 Y47 CA = 57.392(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.1198e-01 Y47 CB = 38.009(D), Expected = 39.16, Std = 2.2300, ChiSquare = 6.0575e-01 Y47 H = 7.926(D), Expected = 8.37, Std = 0.7500, ChiSquare = 5.5385e-01 Y47 N = 120.701(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.8486e-01 N48 C = 174.567(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.3617e-01 N48 CA = 52.895(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.8272e-01 N48 CB = 38.757(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.5654e-01 N48 H = 8.180(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.7005e-01 N48 N = 120.403(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.7334e-01 E49 CA = 55.754(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.4682e-01 E49 CB = 30.029(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.8222e-01 E49 H = 8.039(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.2170e-01 E49 N = 121.574(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.0806e-01 R50 CA = 53.211(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.2079e-01 R50 CB = 29.558(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.3355e-01 R50 H = 8.055(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.5783e-01 R50 N = 122.725(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.8761e-01 P51 C = 175.436(D), Expected = 176.70, Std = 1.6900, ChiSquare = 4.5450e-01 P51 CA = 61.901(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.9363e-01 P51 CB = 30.928(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.6683e-01 W52 C = 175.250(D), Expected = 176.10, Std = 1.8900, ChiSquare = 6.5290e-01 W52 CA = 56.418(D), Expected = 57.71, Std = 2.6500, ChiSquare = 6.2587e-01 W52 CB = 30.748(D), Expected = 30.16, Std = 2.1900, ChiSquare = 7.8832e-01 W52 H = 8.308(D), Expected = 8.35, Std = 0.8400, ChiSquare = 9.6012e-01 W52 N = 121.379(D), Expected = 121.87, Std = 4.5800, ChiSquare = 9.1463e-01 G53 C = 170.835(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.8522e-02 G53 CA = 45.006(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.1951e-01 G53 H = 7.770(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.4114e-01 G53 N = 108.219(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.9345e-01 G54 C = 170.892(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.0466e-01 G54 CA = 44.827(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.2317e-01 G54 H = 8.217(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.6799e-01 G54 N = 128.920(S), Expected = 109.91, Std = 4.2900, ChiSquare = 9.3695e-06 G55 C = 170.721(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.7114e-02 G55 CA = 46.269(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.0844e-01 G55 H = 8.473(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.5736e-01 G55 N = 105.880(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.4753e-01 F56 C = 173.584(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.7088e-01 F56 CA = 55.426(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.0093e-01 F56 CB = 43.796(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.9390e-02 F56 H = 8.914(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.0441e-01 F56 N = 119.353(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.4908e-01 G57 C = 171.664(D), Expected = 174.04, Std = 1.9400, ChiSquare = 2.2067e-01 G57 CA = 46.641(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.5588e-01 G57 H = 8.902(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.4758e-01 G57 N = 105.880(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.4753e-01 L58 C = 177.274(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.8435e-01 L58 CA = 52.831(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.0211e-01 L58 CB = 45.013(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.5533e-01 L58 H = 8.864(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.2180e-01 L58 N = 118.344(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.7166e-01 S59 C = 174.254(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.7325e-01 S59 CA = 57.276(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.4161e-01 S59 CB = 65.537(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.6857e-01 S59 H = 8.645(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.6693e-01 S59 N = 115.097(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.6070e-01 R60 C = 171.697(D), Expected = 176.49, Std = 2.1600, ChiSquare = 2.6488e-02 R60 CA = 54.706(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.5179e-01 R60 CB = 32.146(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.0116e-01 R60 H = 8.697(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.4626e-01 R60 N = 116.682(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.1385e-01 W61 C = 177.845(D), Expected = 176.10, Std = 1.8900, ChiSquare = 3.5586e-01 D62 C = 178.112(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.3626e-01 D62 CA = 52.219(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.7320e-01 D62 CB = 41.360(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.9269e-01 D62 H = 9.251(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.0614e-01 D62 N = 123.345(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.3353e-01 E63 C = 177.865(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.5767e-01 E63 CA = 58.632(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.7997e-01 E63 CB = 27.982(D), Expected = 30.07, Std = 1.8400, ChiSquare = 2.5647e-01 E63 H = 9.139(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.9025e-01 E63 N = 118.874(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.2360e-01 K64 C = 176.511(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.8015e-01 K64 CA = 55.904(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.7741e-01 K64 CB = 31.989(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.5463e-01 K64 H = 8.034(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.7134e-01 K64 N = 119.703(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.2296e-01 G65 C = 174.023(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.9301e-01 G65 CA = 44.444(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.3266e-01 G65 H = 8.258(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.1177e-01 G65 N = 108.452(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.3396e-01 N66 C = 174.241(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.0156e-01 N66 CA = 52.212(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.3011e-01 N66 CB = 37.932(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.8255e-01 N66 H = 8.339(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.6196e-01 N66 N = 120.790(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.0724e-01 W67 C = 173.623(D), Expected = 176.10, Std = 1.8900, ChiSquare = 1.9000e-01 W67 CA = 58.285(D), Expected = 57.71, Std = 2.6500, ChiSquare = 8.2822e-01 W67 CB = 29.994(D), Expected = 30.16, Std = 2.1900, ChiSquare = 9.3958e-01 W67 H = 7.581(D), Expected = 8.35, Std = 0.8400, ChiSquare = 3.5994e-01 W67 N = 123.144(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.8088e-01 H68 CA = 53.638(D), Expected = 56.37, Std = 2.4000, ChiSquare = 2.5498e-01 H68 CB = 34.805(D), Expected = 29.95, Std = 2.1500, ChiSquare = 2.3937e-02 H68 H = 7.187(D), Expected = 8.25, Std = 0.7400, ChiSquare = 1.5086e-01 H68 N = 123.258(D), Expected = 119.44, Std = 4.5200, ChiSquare = 3.9828e-01 G69 C = 172.082(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.1284e-01 G69 CA = 43.786(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.7689e-01 G69 H = 8.150(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.9737e-01 G69 N = 107.233(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.3262e-01 L70 C = 175.710(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.4659e-01 L70 CA = 52.785(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.9484e-01 L70 CB = 44.786(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.9397e-01 L70 H = 8.868(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.1880e-01 L70 N = 122.719(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.5592e-01 Y71 C = 172.382(D), Expected = 175.39, Std = 1.8900, ChiSquare = 1.1149e-01 Y71 CA = 55.672(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.7379e-01 Y71 CB = 41.359(D), Expected = 39.16, Std = 2.2300, ChiSquare = 3.2408e-01 Y71 H = 8.379(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.9043e-01 Y71 N = 119.409(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.6841e-01 A72 C = 175.065(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.0963e-01 A72 CA = 50.857(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.6358e-01 A72 CB = 20.762(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.1418e-01 A72 H = 8.559(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4962e-01 A72 N = 120.168(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.0792e-01 M73 C = 173.345(D), Expected = 176.30, Std = 2.1300, ChiSquare = 1.6534e-01 M73 CA = 53.742(D), Expected = 56.16, Std = 2.3400, ChiSquare = 3.0145e-01 M73 CB = 37.849(D), Expected = 32.90, Std = 2.2300, ChiSquare = 2.6468e-02 M73 H = 9.220(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.0960e-01 M73 N = 119.940(D), Expected = 120.10, Std = 3.8800, ChiSquare = 9.6711e-01 A74 C = 175.058(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.0846e-01 A74 CA = 51.088(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.1450e-01 A74 CB = 21.987(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.5187e-02 A74 H = 8.449(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7814e-01 A74 N = 121.293(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.0062e-01 F75 C = 173.525(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.5625e-01 F75 CA = 55.132(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.5340e-01 F75 CB = 41.733(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.8211e-01 F75 H = 7.887(D), Expected = 8.42, Std = 0.7400, ChiSquare = 4.7136e-01 F75 N = 116.675(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.3679e-01 K76 C = 175.999(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.2207e-01 K76 CA = 54.468(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.9178e-01 K76 CB = 32.186(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3193e-01 K76 H = 8.235(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.8130e-01 K76 N = 123.466(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.7475e-01 D77 C = 178.400(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.6089e-01 D77 CA = 52.371(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.0615e-01 D77 CB = 41.793(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.1280e-01 D77 H = 8.580(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.6095e-01 D77 N = 126.449(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.7330e-01 S78 C = 174.488(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.8063e-01 S78 CA = 60.565(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.4669e-01 S78 CB = 61.997(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.5080e-01 S78 H = 8.295(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.9357e-01 S78 N = 114.226(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.9954e-01 W79 C = 175.518(D), Expected = 176.10, Std = 1.8900, ChiSquare = 7.5813e-01 W79 CA = 56.881(D), Expected = 57.71, Std = 2.6500, ChiSquare = 7.5441e-01 W79 CB = 27.789(D), Expected = 30.16, Std = 2.1900, ChiSquare = 2.7896e-01 W79 H = 8.381(D), Expected = 8.35, Std = 0.8400, ChiSquare = 9.7056e-01 W79 N = 123.482(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.2486e-01 N80 C = 173.829(D), Expected = 175.16, Std = 1.7600, ChiSquare = 4.4950e-01 N80 CA = 53.988(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.7363e-01 N80 CB = 37.063(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.6962e-01 N80 H = 8.292(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.0448e-01 N80 N = 116.113(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.9487e-01 K81 C = 176.303(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.3895e-01 K81 CA = 53.884(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.8892e-01 K81 CB = 32.705(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4699e-01 K81 H = 8.170(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.3773e-01 K81 N = 120.115(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.9930e-01 W82 CA = 57.593(D), Expected = 57.71, Std = 2.6500, ChiSquare = 9.6478e-01 W82 CB = 30.003(D), Expected = 30.16, Std = 2.1900, ChiSquare = 9.4285e-01 W82 H = 8.651(D), Expected = 8.35, Std = 0.8400, ChiSquare = 7.2009e-01 W82 N = 122.977(D), Expected = 121.87, Std = 4.5800, ChiSquare = 8.0901e-01 P84 C = 176.009(D), Expected = 176.70, Std = 1.6900, ChiSquare = 6.8263e-01 P84 CA = 60.256(D), Expected = 63.30, Std = 1.6400, ChiSquare = 6.3440e-02 P84 CB = 32.379(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.1177e-01 I85 C = 171.959(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.7704e-02 I85 CA = 59.790(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.1732e-01 I85 CB = 40.851(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.7721e-01 I85 H = 9.166(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.0194e-01 I85 N = 121.869(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.5455e-01 A86 C = 175.605(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.1399e-01 A86 CA = 49.948(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.1894e-01 A86 CB = 21.289(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.9658e-01 A86 H = 8.250(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 A86 N = 127.864(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.1041e-01 G87 C = 169.154(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.1784e-02 G87 CA = 46.534(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.9650e-01 G87 H = 7.333(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.7357e-01 G87 N = 105.904(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.5041e-01 Y88 C = 176.167(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.8099e-01 Y88 CA = 54.077(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.3529e-01 Y88 CB = 42.432(D), Expected = 39.16, Std = 2.2300, ChiSquare = 1.4230e-01 Y88 H = 8.724(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.3693e-01 Y88 N = 118.839(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.7742e-01 G89 C = 167.756(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.1988e-03 G89 CA = 43.423(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.7929e-01 G89 H = 9.511(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.1355e-01 G89 N = 120.998(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.7488e-03 W90 C = 175.843(D), Expected = 176.10, Std = 1.8900, ChiSquare = 8.9184e-01 W90 CA = 54.623(D), Expected = 57.71, Std = 2.6500, ChiSquare = 2.4406e-01 W90 CB = 31.120(D), Expected = 30.16, Std = 2.1900, ChiSquare = 6.6113e-01 W90 H = 8.080(D), Expected = 8.35, Std = 0.8400, ChiSquare = 7.4789e-01 W90 N = 122.133(D), Expected = 121.87, Std = 4.5800, ChiSquare = 9.5421e-01 E91 C = 176.343(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.8086e-01 E91 CA = 54.998(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.6875e-01 E91 CB = 33.822(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.1437e-02 E91 H = 7.749(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.3262e-01 E91 N = 121.519(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.1965e-01 S92 C = 174.303(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.9561e-01 S92 CA = 57.082(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.8275e-01 S92 CB = 62.366(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.6105e-01 S92 H = 7.473(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.8759e-01 S92 N = 121.745(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.6805e-01 T93 C = 172.777(D), Expected = 174.60, Std = 1.8000, ChiSquare = 3.1117e-01 T93 CA = 61.854(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.1334e-01 T93 CB = 70.058(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.0577e-01 T93 H = 7.929(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.8232e-01 T93 N = 123.679(D), Expected = 115.70, Std = 5.0500, ChiSquare = 1.1411e-01 W94 C = 175.354(D), Expected = 176.10, Std = 1.8900, ChiSquare = 6.9306e-01 W94 CA = 57.607(D), Expected = 57.71, Std = 2.6500, ChiSquare = 9.6900e-01 W94 CB = 32.695(D), Expected = 30.16, Std = 2.1900, ChiSquare = 2.4705e-01 W94 H = 9.954(D), Expected = 8.35, Std = 0.8400, ChiSquare = 5.6195e-02 W94 N = 128.750(D), Expected = 121.87, Std = 4.5800, ChiSquare = 1.3305e-01 R95 CA = 53.099(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.1006e-01 R95 CB = 29.450(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.9422e-01 R95 H = 8.892(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.7718e-01 R95 N = 122.863(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.6347e-01 A98 C = 178.836(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.3462e-01 A98 CA = 54.064(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.6078e-01 A98 CB = 17.231(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.6697e-01 A98 H = 8.581(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2543e-01 A98 N = 122.547(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.5355e-01 D99 C = 176.699(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.7030e-01 D99 CA = 52.708(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.8822e-01 D99 CB = 39.807(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.9284e-01 D99 H = 7.010(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.0570e-02 D99 N = 114.316(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.2673e-01 E100 CA = 57.286(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.5121e-01 E100 H = 8.686(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.7057e-01 E100 N = 128.531(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.2890e-02 N101 C = 176.177(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.6337e-01 N101 CA = 54.304(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.5234e-01 N101 CB = 37.248(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.2763e-01 N101 H = 8.545(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.8775e-01 N101 N = 116.447(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.4384e-01 F102 C = 173.780(D), Expected = 175.49, Std = 2.1300, ChiSquare = 4.2208e-01 F102 CA = 57.635(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.2177e-01 F102 CB = 38.391(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.4474e-01 F102 H = 7.295(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.2844e-01 F102 N = 121.149(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.1256e-01 H103 CA = 51.859(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.0165e-02 H103 H = 7.764(D), Expected = 8.25, Std = 0.7400, ChiSquare = 5.1134e-01 H103 N = 122.529(D), Expected = 119.44, Std = 4.5200, ChiSquare = 4.9435e-01 L104 C = 175.181(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.9201e-01 L104 CA = 53.658(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.6740e-01 L104 CB = 45.152(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.3473e-01 L104 H = 8.705(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.5557e-01 L104 N = 122.113(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.7393e-01 G105 C = 171.960(D), Expected = 174.04, Std = 1.9400, ChiSquare = 2.8365e-01 G105 CA = 44.956(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.9226e-01 G105 H = 8.801(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.3330e-01 G105 N = 111.398(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.2870e-01 L106 C = 175.937(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.2112e-01 L106 CA = 53.534(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3833e-01 L106 CB = 47.035(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.2139e-02 L106 H = 8.269(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3991e-01 L106 N = 119.199(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.9442e-01 G107 C = 172.126(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.2384e-01 G107 CA = 46.621(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.6327e-01 G107 H = 9.354(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.7060e-01 G107 N = 112.947(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.7899e-01 F108 C = 171.723(D), Expected = 175.49, Std = 2.1300, ChiSquare = 7.6970e-02 F108 CA = 55.954(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.0033e-01 F108 CB = 41.817(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.6009e-01 F108 H = 9.183(D), Expected = 8.42, Std = 0.7400, ChiSquare = 3.0250e-01 F108 N = 121.747(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.0037e-01 T109 C = 170.978(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.4197e-02 T109 CA = 57.415(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.1717e-02 T109 CB = 70.740(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.1759e-01 T109 H = 9.461(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.4736e-02 T109 N = 112.916(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.8144e-01 A110 C = 175.434(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.7778e-01 A110 CA = 49.541(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.8953e-02 A110 CB = 21.366(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.8254e-01 A110 H = 8.484(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3598e-01 A110 N = 131.192(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.1406e-02 G111 C = 171.621(D), Expected = 174.04, Std = 1.9400, ChiSquare = 2.1243e-01 G111 CA = 45.130(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.8799e-01 G111 H = 8.944(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.1438e-01 G111 N = 109.232(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.7442e-01 V112 C = 173.550(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.9180e-01 V112 CA = 58.944(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.4477e-01 V112 CB = 34.781(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.6680e-01 V112 H = 9.162(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.1938e-01 V112 N = 115.540(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.6923e-01 T113 C = 172.041(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.5512e-01 T113 CA = 58.059(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.3257e-01 T113 CB = 70.942(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.4375e-01 T113 H = 8.447(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.7527e-01 T113 N = 116.846(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.2048e-01 A114 C = 176.139(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.4610e-01 A114 CA = 51.067(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.0962e-01 A114 CB = 20.671(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.3842e-01 A114 H = 7.795(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9968e-01 A114 N = 124.888(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.5407e-01 R115 CA = 55.411(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.2309e-01 R115 CB = 31.911(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.7970e-01 R115 H = 8.292(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.3094e-01 R115 N = 119.382(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.5286e-01 D116 C = 175.858(D), Expected = 176.41, Std = 1.7700, ChiSquare = 7.5514e-01 D116 CA = 54.982(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.2587e-01 D116 CB = 38.105(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.2021e-01 N117 CA = 52.962(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.0937e-01 N117 CB = 37.908(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.7268e-01 N117 H = 8.559(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.7123e-01 N117 N = 118.987(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.7419e-01 W118 C = 175.324(D), Expected = 176.10, Std = 1.8900, ChiSquare = 6.8138e-01 W118 CA = 56.554(D), Expected = 57.71, Std = 2.6500, ChiSquare = 6.6267e-01 W118 CB = 28.007(D), Expected = 30.16, Std = 2.1900, ChiSquare = 3.2556e-01 N119 CA = 53.360(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.7122e-01 N119 CB = 38.308(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.4324e-01 N119 H = 7.918(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.8681e-01 N119 N = 117.469(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.0707e-01 Y120 C = 173.657(D), Expected = 175.39, Std = 1.8900, ChiSquare = 3.5918e-01 Y120 CA = 58.678(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.0317e-01 I121 CA = 58.362(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.4558e-01 I121 CB = 37.636(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.5150e-01 I121 H = 7.421(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.3733e-01 I121 N = 119.799(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.0278e-01 P122 CA = 62.349(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.6200e-01 P122 CB = 31.569(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.7564e-01 L123 C = 174.861(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.1293e-01 L123 CA = 51.198(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.3959e-02 L123 CB = 43.139(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.7928e-01 L123 H = 8.549(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.1275e-01 L123 N = 122.834(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.3380e-01 V125 C = 173.345(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.4802e-01 V125 CA = 60.464(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.0723e-01 V125 CB = 34.304(D), Expected = 32.66, Std = 1.9100, ChiSquare = 3.8939e-01 V125 H = 8.674(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.8861e-01 V125 N = 117.976(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.3941e-01 L126 C = 174.950(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.3379e-01 L126 CA = 54.023(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.6161e-01 L126 CB = 43.927(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.0254e-01 L126 H = 7.282(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.4900e-01 L126 N = 126.373(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.8043e-01 L127 CA = 51.416(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.5386e-02 L127 CB = 44.070(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.6073e-01 L127 H = 8.834(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.4486e-01 L127 N = 123.900(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.3711e-01 P128 CA = 61.791(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.5751e-01 P128 CB = 32.348(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.2683e-01 L129 C = 174.115(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.7193e-01 L129 CA = 53.511(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3311e-01 L129 CB = 46.769(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.8027e-02 L129 H = 8.050(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9368e-01 L129 N = 121.768(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.5846e-01 A130 C = 175.191(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.3139e-01 A130 CA = 50.722(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.3661e-01 A130 CB = 22.336(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.3269e-02 A130 H = 8.107(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7682e-01 A130 N = 121.742(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.8756e-01 S131 CA = 57.424(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.8881e-01 S131 CB = 65.326(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.3106e-01 S131 H = 8.827(D), Expected = 8.29, Std = 0.6200, ChiSquare = 3.8642e-01 S131 N = 113.918(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.4648e-01 V132 C = 172.478(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.1359e-01 V132 CA = 59.369(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.0614e-01 V132 CB = 33.869(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.2674e-01 V132 H = 8.620(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.4208e-01 V132 N = 115.529(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.6827e-01 G133 C = 173.760(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.8524e-01 G133 CA = 45.357(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.8483e-01 G133 H = 8.707(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.1993e-01 G133 N = 111.765(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.6545e-01 Y134 C = 169.510(D), Expected = 175.39, Std = 1.8900, ChiSquare = 1.8638e-03 Y134 CA = 56.570(D), Expected = 58.02, Std = 2.6400, ChiSquare = 5.8284e-01 Y134 CB = 40.914(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.3155e-01 Y134 H = 8.361(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.9043e-01 Y134 N = 119.614(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.0201e-01 G135 C = 175.506(D), Expected = 174.04, Std = 1.9400, ChiSquare = 4.4985e-01 G135 CA = 44.065(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.7301e-01 G135 H = 8.883(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.6308e-01 G135 N = 116.295(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.3666e-01 P136 CA = 63.595(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.5725e-01 P136 CB = 32.524(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.4291e-01 V137 CA = 65.840(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.6905e-01 V137 CB = 32.442(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.0913e-01 V137 H = 7.621(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.4606e-01 V137 N = 124.135(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.2999e-01 T138 C = 173.162(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.2436e-01 T138 CA = 61.923(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.3349e-01 T138 CB = 70.577(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.8151e-01 T138 H = 8.180(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.8458e-01 T138 N = 122.933(D), Expected = 115.70, Std = 5.0500, ChiSquare = 1.5206e-01 F139 C = 171.570(D), Expected = 175.49, Std = 2.1300, ChiSquare = 6.5713e-02 F139 CA = 56.489(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.1889e-01 F139 CB = 39.219(D), Expected = 39.95, Std = 2.0400, ChiSquare = 7.2009e-01 F139 H = 9.135(D), Expected = 8.42, Std = 0.7400, ChiSquare = 3.3394e-01 F139 N = 130.192(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.3014e-02 Q140 C = 171.849(D), Expected = 176.39, Std = 1.9600, ChiSquare = 2.0513e-02 Q140 CA = 52.975(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.6036e-02 Q140 CB = 32.808(D), Expected = 29.10, Std = 1.9700, ChiSquare = 5.9805e-02 Q140 H = 8.136(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.9223e-01 Q140 N = 130.189(D), Expected = 119.92, Std = 4.0100, ChiSquare = 1.0442e-02 M141 CA = 53.540(D), Expected = 56.16, Std = 2.3400, ChiSquare = 2.6286e-01 M141 CB = 36.802(D), Expected = 32.90, Std = 2.2300, ChiSquare = 8.0157e-02 M141 H = 8.455(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.4518e-01 M141 N = 119.516(D), Expected = 120.10, Std = 3.8800, ChiSquare = 8.8036e-01 T142 C = 172.230(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.8795e-01 T142 CA = 59.418(D), Expected = 62.15, Std = 2.7200, ChiSquare = 3.1518e-01 T142 CB = 70.406(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.5229e-01 T142 H = 8.467(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.5068e-01 T142 N = 112.432(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.1755e-01 Y143 C = 172.123(D), Expected = 175.39, Std = 1.8900, ChiSquare = 8.3886e-02 Y143 CA = 55.569(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.5320e-01 Y143 CB = 42.162(D), Expected = 39.16, Std = 2.2300, ChiSquare = 1.7824e-01 Y143 H = 7.728(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.9200e-01 Y143 N = 124.262(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.5912e-01 I144 C = 172.535(D), Expected = 175.82, Std = 1.9500, ChiSquare = 9.2063e-02 I144 CA = 57.272(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.2037e-01 I144 CB = 37.514(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.1002e-01 I144 H = 8.267(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.9213e-01 I144 N = 125.856(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.6722e-01 P145 CA = 62.000(D), Expected = 63.30, Std = 1.6400, ChiSquare = 4.2796e-01 P145 CB = 32.330(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.3562e-01 G146 C = 177.131(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.1109e-01 G146 CA = 46.169(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.5462e-01 G146 H = 8.924(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.3000e-01 G146 N = 108.626(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.6471e-01 T147 C = 174.007(D), Expected = 174.60, Std = 1.8000, ChiSquare = 7.4182e-01 T147 CA = 62.149(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.9971e-01 T147 CB = 68.750(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.0061e-01 T147 H = 7.324(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.2706e-01 T147 N = 111.385(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.9285e-01 Y148 C = 174.935(D), Expected = 175.39, Std = 1.8900, ChiSquare = 8.0976e-01 Y148 CA = 57.671(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.9483e-01 Y148 CB = 37.401(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.3024e-01 Y148 H = 7.723(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.8832e-01 Y148 N = 121.290(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.1510e-01 N150 C = 174.126(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.5687e-01 N150 CA = 53.005(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.2659e-01 N150 CB = 37.791(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.2541e-01 G151 C = 173.998(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.8273e-01 G151 CA = 44.652(D), Expected = 45.33, Std = 1.4200, ChiSquare = 6.3303e-01 G151 H = 7.450(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.2909e-01 G151 N = 105.008(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.5318e-01 N152 CA = 54.022(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.6025e-01 N152 CB = 37.752(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.0997e-01 N152 H = 8.180(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.7005e-01 N152 N = 116.808(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.9935e-01 Y154 C = 174.590(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.7209e-01 Y154 CA = 56.538(D), Expected = 58.02, Std = 2.6400, ChiSquare = 5.7455e-01 Y154 CB = 39.202(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.8497e-01 F155 C = 171.801(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.3287e-02 F155 CA = 54.966(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.2900e-01 F155 CB = 42.155(D), Expected = 39.95, Std = 2.0400, ChiSquare = 2.7975e-01 F155 H = 8.097(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.6248e-01 F155 N = 125.810(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.2062e-01 A156 C = 175.675(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.2967e-01 A156 CA = 49.596(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.3613e-02 A156 CB = 23.856(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.3860e-03 A156 H = 8.577(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2979e-01 A156 N = 127.612(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.3628e-01 W157 CA = 55.445(D), Expected = 57.71, Std = 2.6500, ChiSquare = 3.9271e-01 W157 CB = 31.392(D), Expected = 30.16, Std = 2.1900, ChiSquare = 5.7374e-01 W157 H = 8.529(D), Expected = 8.35, Std = 0.8400, ChiSquare = 8.3125e-01 W157 N = 120.569(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.7636e-01 M158 C = 174.679(D), Expected = 176.30, Std = 2.1300, ChiSquare = 4.4664e-01 M158 CA = 52.536(D), Expected = 56.16, Std = 2.3400, ChiSquare = 1.2145e-01 M158 CB = 33.916(D), Expected = 32.90, Std = 2.2300, ChiSquare = 6.4867e-01 M158 H = 8.649(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.1677e-01 M158 N = 116.662(D), Expected = 120.10, Std = 3.8800, ChiSquare = 3.7557e-01 R159 C = 174.907(D), Expected = 176.49, Std = 2.1600, ChiSquare = 4.6364e-01 R159 CA = 53.581(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.6214e-01 R159 CB = 32.809(D), Expected = 30.66, Std = 1.7700, ChiSquare = 2.2470e-01 R159 H = 9.315(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.3187e-02 R159 N = 126.635(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.2238e-01 F160 C = 173.713(D), Expected = 175.49, Std = 2.1300, ChiSquare = 4.0413e-01 F160 CA = 55.332(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.8513e-01 F160 CB = 40.883(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.4742e-01 F160 H = 9.324(D), Expected = 8.42, Std = 0.7400, ChiSquare = 2.2185e-01 F160 N = 128.188(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.2848e-02 Q161 C = 174.758(D), Expected = 176.39, Std = 1.9600, ChiSquare = 4.0504e-01 Q161 CA = 55.217(D), Expected = 56.62, Std = 2.1900, ChiSquare = 5.2176e-01 Q161 CB = 31.202(D), Expected = 29.10, Std = 1.9700, ChiSquare = 2.8597e-01 Q161 H = 8.567(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.7570e-01 Q161 N = 128.157(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.9965e-02 F162 CA = 57.386(D), Expected = 58.25, Std = 2.7300, ChiSquare = 7.5164e-01 F162 CB = 41.021(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.9958e-01 F162 H = 8.921(D), Expected = 8.42, Std = 0.7400, ChiSquare = 4.9839e-01 F162 N = 125.076(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.9405e-01 L163 C = 176.223(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.2078e-01 L163 CA = 55.387(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.0527e-01 L163 CB = 42.574(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.1267e-01 L163 H = 8.159(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.2523e-01 L163 N = 119.188(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.9272e-01 E164 CA = 55.583(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.0157e-01 E164 CB = 30.195(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.4584e-01 E164 H = 8.502(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9057e-01 E164 N = 123.575(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.3147e-01