Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.010 CA :: 58.775 CB :: 63.856 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.K2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.16 C 0.15 R 0.12 H 0.12 Q 0.08 W 0.07 E 0.05 C Shift Assignments>> CA :: 54.739 CB :: 32.334 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.369(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.138(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.39 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 177.059 CA :: 63.692 CB :: 32.106 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Q4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 K 0.14 E 0.13 W 0.13 R 0.11 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.406 CA :: 56.314 CB :: 29.354 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.609(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.826(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.562 CA :: 62.316 CB :: 70.060 CG2 :: 21.620 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.214(D) HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.199 Ave N Shift Values>> N :: 115.42(4.75) 1.Q6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 K 0.13 E 0.13 W 0.13 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.332 CA :: 56.381 CB :: 29.477 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.481(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.658(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.927 CA :: 45.627 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.204 Ave N Shift Values>> N :: 109.67(3.87) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.71 C 0.24 A 0.02 G 0.01 C Shift Assignments>> C :: 177.210 CA :: 55.400 CB :: 42.206 CD1 :: 23.425 CD2 :: 24.999 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.139(D) HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.726(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.691 CA :: 52.740 CB :: 19.232(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.323(D) HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.993(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 M 0.18 C 0.17 Q 0.15 R 0.08 H 0.07 W 0.05 E 0.04 V 0.02 C Shift Assignments>> C :: 176.348 CA :: 56.682 CB :: 33.020 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.292(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.772(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.25 K 0.15 R 0.1 F 0.06 C 0.04 Y 0.04 N 0.04 C Shift Assignments>> C :: 176.861 CA :: 54.174 CB :: 42.170 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.445(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.228(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> CA :: 54.027 CB :: 18.845(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.338(D) HB1 :: 1.262 HB2 :: 1.262 HB3 :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.004(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W13 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.500(D) HE1 :: 10.313(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.901(D) NE1 :: 129.071(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 E 0.14 Q 0.13 W 0.13 R 0.13 C 0.12 K 0.1 M 0.05 I 0.01 HN Overlap>> 1.R259 1.R259 C Shift Assignments>> C :: 177.634 CA :: 56.605 CB :: 29.892 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.596(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.418(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 58.821 CB :: 39.659 CD1 :: 13.471 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.173(D) HD11 :: 0.343 HD12 :: 0.343 HD13 :: 0.343 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.262(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.28 C 0.2 W 0.05 K 0.02 R 0.02 I 0.01 H 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 179.582 CA :: 62.134 CB :: 31.976 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.R17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 I 0.11 E 0.1 R 0.08 H 0.07 K 0.06 V 0.06 Q 0.06 M 0.01 P 0.01 C Shift Assignments>> C :: 178.056 CA :: 60.280 CB :: 29.907 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.438(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.144(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 I 0.13 R 0.12 W 0.12 K 0.1 Q 0.1 E 0.09 H 0.07 L 0.04 C Shift Assignments>> C :: 176.821 CA :: 58.792 CB :: 27.993 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.405(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.835(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.132 CA :: 60.489 CB :: 64.304 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.927(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.072(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 C 0.15 L 0.14 A 0.04 C Shift Assignments>> C :: 175.918 CA :: 53.607 CB :: 45.344 CD1 :: 26.974 CD2 :: 23.140 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.937(D) HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.660 HD22 :: 0.660 HD23 :: 0.660 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.367(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.16 C 0.15 R 0.12 H 0.11 Q 0.09 W 0.07 E 0.04 HN Overlap>> 1.R112 1.R112 C Shift Assignments>> C :: 174.795 CA :: 54.922 CB :: 32.431 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.587(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.099(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.52 L 0.46 C Shift Assignments>> C :: 176.293 CA :: 57.486 CB :: 39.448 CD1 :: 23.487 CD2 :: 23.513 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.794(D) HD11 :: 0.300 HD12 :: 0.300 HD13 :: 0.300 HD21 :: -0.291(S) HD22 :: -0.291(S) HD23 :: -0.291(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.108(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.12 K 0.12 R 0.1 V 0.1 M 0.08 H 0.08 E 0.08 Q 0.03 C Shift Assignments>> C :: 176.404 CA :: 59.184 CB :: 31.907 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.780(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.402(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 173.339 CA :: 61.442 CB :: 36.689 CG1 :: 20.877 CG2 :: 21.235 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.193(D) HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.702(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 C 0.14 W 0.14 E 0.14 H 0.13 Q 0.09 K 0.08 M 0.07 V 0.01 C Shift Assignments>> C :: 175.871 CA :: 57.557 CB :: 30.793 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.573(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 131.489(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 C 0.27 A 0.08 G 0.01 C Shift Assignments>> C :: 177.865 CA :: 55.565 CB :: 42.358 CD1 :: 25.560 CD2 :: 22.070 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.308(D) HD11 :: 1.021 HD12 :: 1.021 HD13 :: 1.021 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.268(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 171.004 CA :: 45.641 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.758(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.395(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 R 0.15 H 0.14 C 0.13 K 0.11 W 0.1 E 0.09 Q 0.07 C Shift Assignments>> C :: 174.377 CA :: 55.491 CB :: 31.475 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.411(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.782(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.776 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.412(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.818 Ave N Shift Values>> N :: 109.67(3.87) 1.C30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.32 Y 0.26 W 0.2 F 0.2 C Shift Assignments>> C :: 174.699 CA :: 56.830 CE1 :: 131.855 CE2 :: 131.863 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.157(D) HE1 :: 7.414 HE2 :: 7.416 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.964(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.523 CA :: 45.876 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.073(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.039(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.23 C 0.19 K 0.17 H 0.04 R 0.04 W 0.02 E 0.01 C Shift Assignments>> C :: 175.130 CA :: 55.329 CB :: 34.115 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.360(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.561(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 C 0.34 HN Overlap>> 1.Q122 1.Q122 C Shift Assignments>> C :: 174.917 CA :: 62.093 CB :: 33.997 CG1 :: 21.219 CG2 :: 21.222 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.295(D) HG11 :: 1.011 HG12 :: 1.011 HG13 :: 1.011 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.775(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 M 0.17 C 0.16 R 0.12 H 0.11 W 0.08 Q 0.07 E 0.07 V 0.02 C Shift Assignments>> C :: 175.534 CA :: 56.700 CB :: 32.298 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.874(D) HE1 :: 10.898(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.185(D) NE1 :: 131.887(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.43 C 0.32 A 0.22 I 0.01 C Shift Assignments>> C :: 176.625 CA :: 55.134 CB :: 35.032 CE :: 17.365 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.835(D) HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.931(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.262 CA :: 46.497 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.061(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.128(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 173.349 CA :: 61.613 CB :: 71.987 CG2 :: 22.038 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.702(D) HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.611(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.16 K 0.16 Q 0.13 H 0.09 R 0.09 W 0.05 E 0.02 C Shift Assignments>> C :: 175.438 CA :: 54.137 CB :: 32.842 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.788(D) HE1 :: 9.742(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 128.937(D) NE1 :: 130.001(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 C 0.22 E 0.2 M 0.11 Y 0.09 F 0.05 K 0.02 D 0.01 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.486 CA :: 54.509 CB :: 36.653 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.653(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.597(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.193 CA :: 46.603 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.025(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.921(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.682 CA :: 62.740 CB :: 71.594 CG2 :: 20.990 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.595(D) HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.129(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.349 CA :: 63.371 CB :: 71.034 CG2 :: 21.299 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.959(D) HG21 :: 1.361 HG22 :: 1.361 HG23 :: 1.361 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.195(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 E 0.09 R 0.09 Q 0.08 W 0.08 H 0.08 C 0.07 F 0.07 M 0.07 Y 0.07 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 175.283 CA :: 57.059 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.273(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 131.270(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 I 0.29 V 0.08 C Shift Assignments>> C :: 174.050 CA :: 60.174 CG1 :: 24.013 CG2 :: 18.153 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.609(D) HG11 :: 1.079 HG12 :: 1.079 HG13 :: 1.079 HG21 :: 0.490 HG22 :: 0.490 HG23 :: 0.490 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.418(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 L 0.04 C 0.03 M 0.01 HN Overlap>> 1.V155 1.V155 C Shift Assignments>> C :: 176.371 CA :: 50.904 CB :: 20.899(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.749(D) HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.707(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 I 0.43 G 0.01 C Shift Assignments>> C :: 174.673 CA :: 60.843 CB :: 41.651 CD1 :: 16.100 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.519(D) HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.219(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 M 0.22 C 0.18 K 0.17 H 0.04 R 0.04 E 0.03 W 0.02 V 0.01 C Shift Assignments>> C :: 175.940 CA :: 55.641 CB :: 33.956 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.366(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.407(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.38 T 0.36 C 0.15 L 0.06 K 0.02 HN Overlap>> 1.N150 1.N150 C Shift Assignments>> CA :: 59.665 CG2 :: 22.262 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.279(D) HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.962 Ave N Shift Values>> N :: 115.42(4.75) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 V 0.04 C Shift Assignments>> CD1 :: 22.898 CD2 :: 25.305 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.569 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.638 HD22 :: 0.638 HD23 :: 0.638 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.605 Ave N Shift Values>> N :: 121.86(3.9) 1.K51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.277 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 132.959 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.454 CA :: 64.389 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.734 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.081(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.604(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 T 0.38 L 0.1 A 0.05 C 0.04 HN Overlap>> 1.A183 1.R132 1.A183 1.R132 C Shift Assignments>> CG2 :: 21.914 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.083 HG21 :: 1.282 HG22 :: 1.282 HG23 :: 1.282 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.273 Ave N Shift Values>> N :: 115.42(4.75) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.54 I 0.32 A 0.12 C Shift Assignments>> C :: 174.210 CE :: 16.339 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.912 HE1 :: 1.747 HE2 :: 1.747 HE3 :: 1.747 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.S56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.384 CB :: 62.983 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.814(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.377(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.33 T 0.21 S 0.17 I 0.14 P 0.09 C 0.03 C Shift Assignments>> C :: 178.057 CA :: 66.287 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 C 0.12 T 0.1 V 0.1 S 0.1 F 0.08 Y 0.08 W 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 179.044 CA :: 60.322 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.620(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.026(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.47 M 0.45 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.983 CB :: 18.455(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.826(D) HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.546(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.37 Y 0.28 F 0.22 W 0.12 C Shift Assignments>> CE1 :: 131.405 CE2 :: 131.404 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.246(D) HE1 :: 7.111 HE2 :: 7.107 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.016(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 V 0.04 C Shift Assignments>> CD1 :: 25.129 CD2 :: 22.682 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.558 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.826 Ave N Shift Values>> N :: 121.86(3.9) 1.Q62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.630 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.693 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R230 1.R230 H Shift Assignments>> H :: 7.382 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.230 Ave N Shift Values>> N :: 120.67(3.48) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 A 0.29 M 0.29 V 0.01 HN Overlap>> 1.E277 1.E277 C Shift Assignments>> CB :: 17.973 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.829 HB1 :: 1.192 HB2 :: 1.192 HB3 :: 1.192 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.039 Ave N Shift Values>> N :: 123.23(3.54) 1.Q65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.825 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.904 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.16 L 0.01 C Shift Assignments>> C :: 177.443 CA :: 61.627 CG1 :: 21.906 CG2 :: 22.699 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.405 HG11 :: 0.649 HG12 :: 0.649 HG13 :: 0.649 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 121.14(4.54) 1.M67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.47 C 0.42 A 0.08 HN Overlap>> 1.T193 1.T193 C Shift Assignments>> CA :: 56.459 CB :: 32.297 CE :: 17.570 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.612(D) HE1 :: 1.907 HE2 :: 1.907 HE3 :: 1.907 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.600 Ave N Shift Values>> N :: 120.09(3.57) 1.K68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 177.512 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.191 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.155 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.19 Q 0.18 C 0.17 R 0.07 H 0.07 W 0.04 E 0.03 V 0.01 HN Overlap>> 1.D101 1.D101 C Shift Assignments>> CA :: 56.368 CB :: 33.264 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.150(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.493(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 V 0.04 C Shift Assignments>> CD1 :: 25.391 CD2 :: 22.350 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.423 HD11 :: 0.026 HD12 :: 0.026 HD13 :: 0.026 HD21 :: 0.250 HD22 :: 0.250 HD23 :: 0.250 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.831 Ave N Shift Values>> N :: 121.86(3.9) 1.R71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 172.918 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.147 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.437 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 Q 0.17 K 0.15 M 0.14 E 0.08 V 0.05 R 0.02 H 0.02 W 0.02 Y 0.01 I 0.01 C Shift Assignments>> C :: 174.908 CA :: 58.134 CB :: 34.378 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.565(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.395(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 K 0.11 I 0.1 Q 0.09 H 0.09 R 0.08 M 0.01 V 0.01 HN Overlap>> 1.E207 1.T206 1.E207 1.T206 C Shift Assignments>> C :: 176.656 CA :: 59.377 CB :: 29.234 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.782(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.711(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> H 0.19 Q 0.15 R 0.15 C 0.15 W 0.12 M 0.08 E 0.08 K 0.03 C Shift Assignments>> C :: 174.655 CA :: 53.484 CB :: 29.849 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.516(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.636(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.73 C 0.15 G 0.1 C Shift Assignments>> C :: 176.704 CA :: 54.061 CB :: 43.358 CD1 :: 24.606 CD2 :: 24.606 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.960(D) HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.365(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.75 C 0.24 HN Overlap>> 1.Y232 1.Y232 C Shift Assignments>> CA :: 64.816 CB :: 32.181 CG1 :: 21.652 CG2 :: 23.889 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.497(D) HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.017(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.06 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 175.594 CA :: 56.145 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.192(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.380(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.41 C 0.36 K 0.11 G 0.08 R 0.01 A 0.01 C Shift Assignments>> C :: 175.869 CA :: 55.406 CB :: 43.138 CD1 :: 24.004 CD2 :: 26.925 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.559(D) HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: -0.129 HD22 :: -0.129 HD23 :: -0.129 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.961(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.41 Y 0.39 W 0.19 C Shift Assignments>> CA :: 56.256 CE1 :: 118.076 CE2 :: 118.079 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.358(D) HE1 :: 6.930 HE2 :: 6.930 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.706(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.35 T 0.32 L 0.19 C 0.05 A 0.04 K 0.01 C Shift Assignments>> CB :: 22.292 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.186(D) HB1 :: 0.988 HB2 :: 0.988 HB3 :: 0.988 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.V81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.76 C 0.21 C Shift Assignments>> C :: 173.655 CA :: 60.193 CG1 :: 22.275 CG2 :: 20.231 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.326(D) HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.015(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 C 0.33 C Shift Assignments>> CA :: 62.258 CB :: 33.333 CG1 :: 21.234 CG2 :: 20.382 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.574(D) HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.851(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.566 CA :: 60.456 CB :: 62.911 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.803 Ave N Shift Values>> N :: 116.28(3.52) 1.E84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 H 0.14 R 0.14 C 0.14 K 0.12 W 0.09 E 0.06 Q 0.06 HN Overlap>> 1.L247 1.L247 C Shift Assignments>> C :: 175.158 CA :: 54.464 CB :: 31.750 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.798(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.745(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 Q 0.14 E 0.13 W 0.13 C 0.11 K 0.09 M 0.06 C Shift Assignments>> CA :: 56.219 CB :: 29.986 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.600(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.380(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> CD1 :: 12.714 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.561 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.137 Ave N Shift Values>> N :: 121.46(4.28) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.58 Y 0.29 W 0.11 C Shift Assignments>> C :: 175.999 CA :: 52.855 CE1 :: 117.189 CE2 :: 117.197 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.098 HE1 :: 6.552 HE2 :: 6.555 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.679 CA :: 62.367 CD1 :: 13.658 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.216(D) HD11 :: 0.210 HD12 :: 0.210 HD13 :: 0.210 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.872(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.666 CA :: 61.725 CB :: 31.884 CG1 :: 21.013 CG2 :: 20.858 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.696(D) HG11 :: 0.650 HG12 :: 0.650 HG13 :: 0.650 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.449(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.63 T 0.36 C Shift Assignments>> C :: 172.957 CA :: 59.979 CB :: 73.621 CG2 :: 20.877 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.652(D) HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.402(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.11 K 0.09 Q 0.09 V 0.01 C Shift Assignments>> C :: 174.551 CA :: 56.657 CB :: 31.052 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.606(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.050(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 174.588 CA :: 57.346 CB :: 39.600 CE1 :: 118.634 CE2 :: 118.631 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.661(D) HE1 :: 6.794 HE2 :: 6.790 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.744(D) Ave N Shift Values>> N :: 120.52(4.2) 1.M94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 A 0.35 M 0.26 C Shift Assignments>> C :: 176.578 CA :: 52.613 CB :: 29.691 CE :: 15.772 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.162(D) HE1 :: 1.590 HE2 :: 1.590 HE3 :: 1.590 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 129.101(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.951 CA :: 61.545 CB :: 63.633 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.461(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.135(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 M 0.15 C 0.12 W 0.1 K 0.1 E 0.09 Q 0.09 HN Overlap>> 1.Q122 1.Q122 C Shift Assignments>> C :: 176.984 CA :: 55.314 CB :: 31.209 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.445(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.818(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.503 CA :: 45.399 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.212(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.811(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.G148 1.G148 C Shift Assignments>> C :: 176.301 CA :: 57.952 CB :: 65.226 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.805(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.898(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 L 0.47 K 0.01 C Shift Assignments>> C :: 177.434 CA :: 57.647 CD1 :: 23.401 CD2 :: 25.659 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.507(D) HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.883(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 L 0.44 K 0.01 C Shift Assignments>> C :: 176.831 CA :: 58.456 CB :: 41.151 CD1 :: 23.329 CD2 :: 25.664 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.836(D) HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 HD21 :: 1.056 HD22 :: 1.056 HD23 :: 1.056 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.799(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.1 I 0.05 K 0.05 N 0.01 HN Overlap>> 1.K69 1.K69 C Shift Assignments>> C :: 178.916 CA :: 57.508 CB :: 40.441 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.208(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.546(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.4 Y 0.39 C 0.19 C Shift Assignments>> C :: 178.670 CA :: 61.278 CB :: 40.097 CE1 :: 131.289 CE2 :: 131.289 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.648(D) HE1 :: 7.199 HE2 :: 7.200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.920(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 L 0.33 A 0.01 G 0.01 K 0.01 C Shift Assignments>> C :: 176.506 CA :: 57.662 CB :: 42.149 CD1 :: 22.147 CD2 :: 26.041 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.526(D) HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.784 HD22 :: 0.784 HD23 :: 0.784 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.159(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.19 Q 0.18 M 0.16 R 0.06 H 0.05 W 0.04 V 0.04 E 0.02 C Shift Assignments>> C :: 177.872 CA :: 57.522 CB :: 33.471 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.129(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.610(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.806 CA :: 44.752 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.381(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.431(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 E 0.12 I 0.1 K 0.1 H 0.08 R 0.08 Q 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 178.042 CA :: 59.643 CB :: 29.420 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.705(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.145(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 176.859 CA :: 64.374 CB :: 68.430 CG2 :: 22.723 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.851(D) HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.606 Ave N Shift Values>> N :: 115.42(4.75) 1.G108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 HN Overlap>> 1.G190 1.G190 C Shift Assignments>> C :: 176.173 CA :: 46.553 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.446(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.826(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.12 K 0.12 V 0.11 R 0.1 M 0.08 H 0.08 E 0.08 Q 0.03 C Shift Assignments>> C :: 177.671 CA :: 59.227 CB :: 31.912 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.455(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.060(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.175 CA :: 58.044 CB :: 38.290 CE1 :: 118.712 CE2 :: 118.712 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.398(D) HE1 :: 6.899 HE2 :: 6.899 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.257(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.36 K 0.06 A 0.03 G 0.02 C Shift Assignments>> C :: 176.899 CA :: 55.928 CB :: 42.538 CD1 :: 26.824 CD2 :: 22.826 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.188(D) HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.234(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.17 K 0.15 Q 0.12 H 0.1 R 0.09 W 0.05 E 0.02 HN Overlap>> 1.R21 1.R21 C Shift Assignments>> CA :: 53.609 CB :: 32.812 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.678(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.068(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.96 K 0.02 C Shift Assignments>> CD1 :: 26.346 CD2 :: 23.130 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HD11 :: 1.051 HD12 :: 1.051 HD13 :: 1.051 HD21 :: 1.014 HD22 :: 1.014 HD23 :: 1.014 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.55 I 0.18 C 0.14 P 0.11 C Shift Assignments>> C :: 179.751 CA :: 67.006 CB :: 30.324 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Q115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.15 E 0.1 K 0.09 H 0.07 R 0.07 Q 0.07 V 0.03 M 0.01 C Shift Assignments>> CA :: 60.087 CB :: 29.287 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.288(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.832(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.98 K 0.01 C Shift Assignments>> CD1 :: 26.064 CD2 :: 22.927 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.V117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.003 CA :: 67.162 CG1 :: 22.263 CG2 :: 24.038 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.911(D) HG11 :: 0.983 HG12 :: 0.983 HG13 :: 0.983 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.371(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.18 L 0.14 Y 0.13 R 0.12 C 0.08 D 0.04 I 0.03 C Shift Assignments>> C :: 179.180 CA :: 58.278 CB :: 42.137 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.644(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.499(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.44 I 0.28 M 0.21 V 0.04 C 0.01 C Shift Assignments>> CE :: 18.473 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HE1 :: 1.880 HE2 :: 1.880 HE3 :: 1.880 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.A120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.48 I 0.24 M 0.19 V 0.05 C 0.01 C Shift Assignments>> C :: 178.980 CB :: 18.618 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.643(D) HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 113.952 Ave N Shift Values>> N :: 123.23(3.54) 1.A121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.23 I 0.07 C 0.02 C Shift Assignments>> CA :: 55.873 CB :: 17.810(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.099(D) HB1 :: 1.682 HB2 :: 1.682 HB3 :: 1.682 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.540(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q122 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.K96 1.K96 1.V34 1.V34 H Shift Assignments>> H :: 8.375(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.831(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.52 M 0.4 A 0.06 C Shift Assignments>> C :: 177.915 CD1 :: 15.161 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.76 A 0.16 I 0.04 C 0.01 C Shift Assignments>> C :: 177.984 CA :: 55.501 CB :: 16.530 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.961(D) HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.525(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.270 CA :: 61.010 CB :: 63.214 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.052(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.681(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.6 P 0.13 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> CA :: 47.868 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.888(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.960 Ave N Shift Values>> N :: 109.67(3.87) 1.M127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.53 M 0.39 A 0.06 C Shift Assignments>> CE :: 15.141 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.894(D) HE1 :: 1.776 HE2 :: 1.776 HE3 :: 1.776 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.72 A 0.22 I 0.03 C 0.01 C Shift Assignments>> C :: 180.612 CA :: 55.035 CB :: 16.566(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.825(D) HB1 :: 1.527 HB2 :: 1.527 HB3 :: 1.527 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.452(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 Y 0.42 C Shift Assignments>> CA :: 61.904 CB :: 36.981 CE1 :: 118.349 CE2 :: 118.351 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.296(D) HE1 :: 6.708 HE2 :: 6.708 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.398(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.67 V 0.32 C Shift Assignments>> CG1 :: 21.774 CG2 :: 24.123 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.635(D) HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.309 Ave N Shift Values>> N :: 121.14(4.54) 1.E131 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 180.246 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.985(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.806(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 I 0.06 K 0.05 R 0.04 V 0.04 H 0.04 T 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.T54 1.A183 1.T54 1.A183 C Shift Assignments>> C :: 177.663 CA :: 59.196 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.083(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.273(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.4 C 0.31 A 0.27 C Shift Assignments>> C :: 175.870 CA :: 54.204 CB :: 30.515 CE :: 16.701 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.785(D) HE1 :: 2.126 HE2 :: 2.126 HE3 :: 2.126 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.722 Ave N Shift Values>> N :: 120.09(3.57) 1.N134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 N 0.2 E 0.16 Y 0.15 F 0.1 M 0.06 D 0.03 I 0.02 L 0.01 K 0.01 C Shift Assignments>> CA :: 55.279 CB :: 37.331 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.007(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.590(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.56 H 0.31 W 0.12 C Shift Assignments>> CE1 :: 118.110 CE2 :: 118.106 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.064 HE1 :: 6.589 HE2 :: 6.587 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 L 0.05 C Shift Assignments>> CG1 :: 21.969 CG2 :: 21.146 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.444 HG11 :: 0.889 HG12 :: 0.889 HG13 :: 0.889 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.439 Ave N Shift Values>> N :: 121.14(4.54) 1.H137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.512 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 108.103 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.320 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.D139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 L 0.45 K 0.04 A 0.01 C Shift Assignments>> C :: 173.504 CA :: 56.529 CD1 :: 23.400 CD2 :: 26.227 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 HD21 :: 1.063 HD22 :: 1.063 HD23 :: 1.063 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.R141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 N 0.08 H 0.07 Q 0.06 R 0.06 A 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 176.495 CA :: 54.850 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.713(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.745(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.8 I 0.1 A 0.05 C 0.02 C Shift Assignments>> C :: 178.863 CA :: 56.688 CB :: 16.147(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.418(S) HB1 :: 1.277 HB2 :: 1.277 HB3 :: 1.277 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.797(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.519 CB :: 18.504(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.548(D) HB1 :: 1.200 HB2 :: 1.200 HB3 :: 1.200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.241(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N144 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.740(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.I145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.C240 1.C240 C Shift Assignments>> CD1 :: 11.107 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.020(D) HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.424(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.97 V 0.02 C Shift Assignments>> C :: 174.648 CD1 :: 25.873 CD2 :: 22.240 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.869(D) HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.256(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.79 C 0.19 HN Overlap>> 1.S196 1.S196 C Shift Assignments>> C :: 175.285 CA :: 60.595 CG1 :: 19.949 CG2 :: 21.600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.553(D) HG11 :: 0.181 HG12 :: 0.181 HG13 :: 0.181 HG21 :: 0.557 HG22 :: 0.557 HG23 :: 0.557 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.206(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 HN Overlap>> 1.S98 1.S98 C Shift Assignments>> C :: 173.381 CA :: 43.417 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.864(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.885(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 R 0.12 C 0.12 K 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 177.889 CA :: 57.102 CB :: 29.664 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.288(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.674(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 C 0.19 Y 0.14 E 0.11 F 0.1 D 0.05 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.T49 1.T49 C Shift Assignments>> C :: 174.182 CA :: 54.901 CB :: 37.516 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.204(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.955(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.77 L 0.2 A 0.01 C Shift Assignments>> C :: 175.550 CA :: 56.288 CB :: 37.931 CD1 :: 23.609 CD2 :: 25.548 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.497(D) HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 111.625(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.182 CA :: 62.663 CB :: 32.193 CG1 :: 21.787 CG2 :: 22.542 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.771(D) HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.600(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 W 0.13 H 0.12 E 0.12 K 0.1 M 0.1 Q 0.07 V 0.02 C Shift Assignments>> C :: 172.634 CA :: 57.680 CB :: 31.280 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.161(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.390(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.36 D 0.14 Y 0.13 C 0.12 F 0.12 L 0.04 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 175.365 CA :: 54.511 CB :: 38.572 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.576(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.958(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.95 C 0.04 HN Overlap>> 1.A46 1.A46 C Shift Assignments>> CA :: 64.701 CG1 :: 22.141 CG2 :: 21.490 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.819(D) HG11 :: 0.683 HG12 :: 0.683 HG13 :: 0.683 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.661(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 K 0.17 C 0.09 V 0.09 T 0.04 C Shift Assignments>> CB :: 23.575 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.070 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.670 Ave N Shift Values>> N :: 123.23(3.54) 1.D157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.33 Y 0.29 H 0.27 W 0.09 C Shift Assignments>> CE1 :: 130.635 CE2 :: 130.646 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.614 HE1 :: 7.139 HE2 :: 7.138 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.G159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.97 V 0.01 C Shift Assignments>> CD1 :: 25.398 CD2 :: 23.060 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.171 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.709 HD22 :: 0.709 HD23 :: 0.709 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 A 0.31 T 0.19 C 0.02 I 0.02 M 0.02 L 0.02 C Shift Assignments>> CB :: 20.363 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.327 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.R162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.296 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.98 K 0.01 C Shift Assignments>> CD1 :: 26.007 CD2 :: 23.086 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.684 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.614 HD22 :: 0.614 HD23 :: 0.614 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> CD1 :: 13.164 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.341 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.533 Ave N Shift Values>> N :: 121.46(4.28) 1.E165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.083 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.D166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.PTR169 Overall Status: Residue type PTR not supported. 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.4 V 0.4 L 0.08 A 0.06 C 0.03 C Shift Assignments>> CG2 :: 21.747 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.024 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.A171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 A 0.29 T 0.21 C 0.03 M 0.02 L 0.02 I 0.02 C Shift Assignments>> CB :: 20.430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.155 HB1 :: 1.709 HB2 :: 1.709 HB3 :: 1.709 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.298 Ave N Shift Values>> N :: 123.23(3.54) 1.R172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.141 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.Q173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G174 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.146 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 V 0.24 T 0.08 I 0.07 M 0.06 C 0.02 C Shift Assignments>> CB :: 19.770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.807 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.674 Ave N Shift Values>> N :: 123.23(3.54) 1.K176 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.153 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.37 Y 0.28 F 0.21 W 0.12 C Shift Assignments>> CE1 :: 131.468 CE2 :: 131.472 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HE1 :: 7.236 HE2 :: 7.234 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.P178 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CD1 :: 12.542 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.792 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.K180 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.895 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.W181 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.277 HE1 :: 10.460(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> NE1 :: 132.228(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 T 0.39 A 0.08 L 0.05 C 0.02 C Shift Assignments>> CG2 :: 21.382 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.099 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 I 0.32 M 0.24 V 0.03 C 0.01 HN Overlap>> 1.T54 1.T54 1.R132 1.R132 C Shift Assignments>> CB :: 18.270 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.060 HB1 :: 1.222 HB2 :: 1.222 HB3 :: 1.222 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.252 Ave N Shift Values>> N :: 123.23(3.54) 1.P184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.28 S 0.21 T 0.19 I 0.13 P 0.12 C 0.02 C Shift Assignments>> C :: 176.933 CA :: 65.701 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 K 0.19 I 0.16 R 0.15 L 0.09 W 0.04 Q 0.04 H 0.02 E 0.01 C Shift Assignments>> C :: 177.706 CA :: 59.080 CB :: 25.914 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.146(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.903(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A186 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.62 A 0.33 I 0.02 C 0.01 C Shift Assignments>> C :: 177.560 CA :: 54.408 CB :: 16.816 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.614(D) HB1 :: 0.194(S) HB2 :: 0.194(S) HB3 :: 0.194(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.301(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 M 0.26 C 0.04 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.688 CB :: 19.290(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.691(D) HB1 :: 1.118 HB2 :: 1.118 HB3 :: 1.118 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.696(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.89 V 0.1 C Shift Assignments>> C :: 178.747 CD1 :: 22.959 CD2 :: 24.566 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.399(D) HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 HD21 :: 0.602 HD22 :: 0.602 HD23 :: 0.602 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.793(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.42 Y 0.33 W 0.23 C Shift Assignments>> C :: 176.539 CA :: 56.156 CE1 :: 118.466 CE2 :: 118.470 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.386(D) HE1 :: 6.800 HE2 :: 6.801 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.559(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 HN Overlap>> 1.G108 1.G108 C Shift Assignments>> C :: 174.066 CA :: 46.700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.400(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.724 Ave N Shift Values>> N :: 109.67(3.87) 1.R191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.11 C 0.11 R 0.11 E 0.11 M 0.04 L 0.02 C Shift Assignments>> C :: 174.357 CA :: 55.344 CB :: 29.088 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.092(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.243(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.41 F 0.37 C 0.2 C Shift Assignments>> CA :: 57.961 CB :: 39.725 CE1 :: 131.786 CE2 :: 131.786 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.788(D) HE1 :: 7.122 HE2 :: 7.127 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.147 Ave N Shift Values>> N :: 120.45(4.18) 1.T193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 T 0.38 L 0.11 A 0.05 C 0.04 HN Overlap>> 1.M67 1.M67 C Shift Assignments>> CG2 :: 21.933 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.557 HG21 :: 1.315 HG22 :: 1.315 HG23 :: 1.315 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.585 Ave N Shift Values>> N :: 115.42(4.75) 1.I194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.98 M 0.01 C Shift Assignments>> CD1 :: 13.218 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.651(D) HD11 :: 1.539 HD12 :: 1.539 HD13 :: 1.539 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.030(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K195 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 182.194 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.662 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.S196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.2 P 0.12 C 0.05 F 0.02 Y 0.02 S 0.02 W 0.01 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> CA :: 62.302 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.640(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.252(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D197 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 179.402 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.435(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.222(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.98 C 0.01 C Shift Assignments>> C :: 177.989 CA :: 67.963 CG1 :: 22.074 CG2 :: 21.932 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.257(D) HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.121(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.23 I 0.21 V 0.21 P 0.09 C 0.06 S 0.05 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 179.723 CA :: 62.022 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.437(D) HE1 :: 10.536(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.862(D) NE1 :: 131.756(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S200 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 176.647 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.700(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.906(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.39 Y 0.37 W 0.16 H 0.06 C Shift Assignments>> C :: 176.914 CA :: 62.139 CE1 :: 130.718 CE2 :: 130.713 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.467(D) HE1 :: 7.165 HE2 :: 7.164 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.626(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.5 P 0.2 C 0.1 A 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> CA :: 48.002 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.337(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.919 Ave N Shift Values>> N :: 109.67(3.87) 1.I203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.96 C 0.03 C Shift Assignments>> CD1 :: 8.153 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.820 HD11 :: 0.401 HD12 :: 0.401 HD13 :: 0.401 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.L204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.93 K 0.04 R 0.02 C Shift Assignments>> CD1 :: 26.095 CD2 :: 25.272 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.L205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.98 V 0.01 C Shift Assignments>> CD1 :: 25.712 CD2 :: 23.084 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 HD21 :: 0.519 HD22 :: 0.519 HD23 :: 0.519 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.T206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 V 0.15 K 0.12 C 0.09 T 0.09 A 0.01 HN Overlap>> 1.E73 1.E207 1.E73 1.E207 C Shift Assignments>> C :: 176.278 CG2 :: 23.276 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.838 HG21 :: 1.740 HG22 :: 1.740 HG23 :: 1.740 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.703 Ave N Shift Values>> N :: 115.42(4.75) 1.E207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.E73 1.E73 1.T206 1.T206 C Shift Assignments>> C :: 178.715 CA :: 61.258 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.810(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.618(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 L 0.28 K 0.04 R 0.03 C Shift Assignments>> C :: 177.973 CA :: 58.912 CD1 :: 26.124 CD2 :: 25.650 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.450(D) HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 1.038 HD22 :: 1.038 HD23 :: 1.038 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.263(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.528 CA :: 64.760 CB :: 70.155 CG2 :: 22.387 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.642(D) HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 103.349 Ave N Shift Values>> N :: 115.42(4.75) 1.T210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.252 CA :: 61.898 CB :: 69.834 CG2 :: 20.299 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.553(D) HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.298 Ave N Shift Values>> N :: 115.42(4.75) 1.K211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.14 Q 0.13 H 0.11 I 0.1 R 0.09 M 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 175.231 CA :: 58.622 CB :: 28.727 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.001(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.100(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.696 CA :: 45.682 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.312(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.997(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 K 0.13 H 0.13 E 0.13 W 0.13 C 0.11 R 0.11 M 0.03 I 0.01 C Shift Assignments>> C :: 176.483 CA :: 56.826 CB :: 29.368 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.556(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.495(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 60.599 CB :: 32.192 CG1 :: 21.243 CG2 :: 20.486 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.241(D) HG11 :: 1.209 HG12 :: 1.209 HG13 :: 1.209 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.236(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.29 C 0.18 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 174.447 CA :: 62.477 CB :: 32.540 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Y216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 Y 0.47 C Shift Assignments>> CA :: 57.706 CB :: 37.037 CE1 :: 118.643 CE2 :: 118.641 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.540(D) HE1 :: 6.933 HE2 :: 6.937 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.788(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P217 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.760 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.839 CA :: 45.449 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.882(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.236 Ave N Shift Values>> N :: 109.67(3.87) 1.M219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.45 C 0.36 A 0.15 I 0.02 C Shift Assignments>> C :: 176.669 CA :: 55.329 CB :: 35.296 CE :: 16.792 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.004(D) HE1 :: 1.418 HE2 :: 1.418 HE3 :: 1.418 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 120.09(3.57) 1.V220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 177.706 CA :: 60.583 CB :: 32.393 CG1 :: 21.636 CG2 :: 19.266 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.618(D) HG11 :: 1.037 HG12 :: 1.037 HG13 :: 1.037 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.879(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 C 0.21 F 0.21 E 0.08 I 0.08 N 0.04 D 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 177.491 CA :: 57.203 CB :: 38.060 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.771(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.791(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 H 0.1 Q 0.1 R 0.09 I 0.07 M 0.02 V 0.01 C Shift Assignments>> C :: 176.975 CA :: 59.018 CB :: 29.476 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.607(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.016(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 C 0.14 W 0.13 H 0.13 E 0.13 M 0.09 K 0.09 Q 0.08 V 0.02 C Shift Assignments>> C :: 177.432 CA :: 57.477 CB :: 31.003 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.326(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.152(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.803 CA :: 66.871 CB :: 31.303 CG1 :: 20.063 CG2 :: 24.189 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.417(D) HG11 :: 0.021 HG12 :: 0.021 HG13 :: 0.021 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.528(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 C 0.38 V 0.05 C Shift Assignments>> C :: 178.574 CA :: 58.537 CD1 :: 24.029 CD2 :: 23.762 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.896(D) HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.281(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 F 0.21 Y 0.16 L 0.15 D 0.08 C 0.08 I 0.03 R 0.03 C Shift Assignments>> C :: 178.783 CA :: 57.640 CB :: 41.408 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.934(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.509(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 I 0.22 R 0.17 L 0.08 K 0.07 W 0.07 Q 0.05 H 0.03 E 0.03 P 0.01 C Shift Assignments>> C :: 179.651 CA :: 59.380 CB :: 26.541 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.977(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.956(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 HN Overlap>> 1.D246 1.D246 C Shift Assignments>> C :: 181.720 CA :: 65.884 CB :: 31.948 CG1 :: 21.823 CG2 :: 22.544 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.149(D) HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.839(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 I 0.12 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.799 CA :: 60.073 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.523(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.659(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.14 R 0.14 C 0.13 Q 0.12 K 0.07 M 0.06 I 0.01 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 176.663 CA :: 57.122 CB :: 30.245 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.328(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.151(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.230 CA :: 45.229 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.772(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.002(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 175.766 CA :: 61.000 CB :: 39.327 CE1 :: 117.989 CE2 :: 117.989 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.399(D) HE1 :: 6.751 HE2 :: 6.753 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.999(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.21 Q 0.12 K 0.12 H 0.08 R 0.07 P 0.05 W 0.04 E 0.01 C Shift Assignments>> C :: 174.253 CA :: 52.453 CB :: 33.055 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.977(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.806(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.36 A 0.16 C Shift Assignments>> CA :: 55.864 CB :: 33.910 CE :: 17.968 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.761 HE1 :: 1.546 HE2 :: 1.546 HE3 :: 1.546 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.249 Ave N Shift Values>> N :: 120.09(3.57) 1.P235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.4 C 0.23 P 0.2 W 0.04 K 0.03 R 0.02 M 0.01 H 0.01 E 0.01 Q 0.01 C Shift Assignments>> C :: 174.572 CA :: 61.856 CB :: 32.634 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.C236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 C 0.18 I 0.12 L 0.11 Q 0.09 W 0.09 H 0.06 E 0.05 K 0.04 C Shift Assignments>> CA :: 58.349 CB :: 27.092 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.018(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.988(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P237 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.42 C 0.1 I 0.02 W 0.01 C Shift Assignments>> C :: 177.789 CA :: 64.811 CB :: 31.657 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.13 Q 0.11 E 0.1 I 0.1 H 0.09 R 0.08 L 0.02 M 0.01 C Shift Assignments>> C :: 174.378 CA :: 58.705 CB :: 28.413 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.737(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.338(D) Ave N Shift Values>> N :: 120.67(3.48) 1.C240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 K 0.14 W 0.12 E 0.12 R 0.11 C 0.11 M 0.04 I 0.01 HN Overlap>> 1.I145 1.I145 C Shift Assignments>> CA :: 56.194 CB :: 29.366 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.945(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.361(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.42 V 0.41 C 0.12 W 0.01 C Shift Assignments>> C :: 178.389 CA :: 63.748 CB :: 32.307 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 I 0.21 W 0.15 E 0.08 K 0.08 H 0.06 R 0.05 Q 0.05 V 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 178.588 CA :: 60.638 CB :: 29.204 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.218(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.355(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.615 CA :: 60.950 CB :: 62.227 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.014(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.740(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 C 0.3 C Shift Assignments>> C :: 178.341 CA :: 56.720 CB :: 41.688 CD1 :: 25.233 CD2 :: 23.555 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.514(D) HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.574 HD22 :: 0.574 HD23 :: 0.574 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.180(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.14 V 0.12 R 0.1 E 0.09 H 0.08 K 0.08 M 0.05 Q 0.04 I 0.02 P 0.01 C Shift Assignments>> C :: 177.743 CA :: 59.846 CB :: 31.361 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.618(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.177(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.08 D 0.07 I 0.07 HN Overlap>> 1.V228 1.V228 C Shift Assignments>> C :: 178.294 CA :: 58.026 CB :: 40.647 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.212(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.818(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.68 L 0.27 A 0.02 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> CA :: 58.063 CB :: 41.523 CD1 :: 21.579 CD2 :: 25.383 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.806(D) HD11 :: 0.174 HD12 :: 0.174 HD13 :: 0.174 HD21 :: 0.662 HD22 :: 0.662 HD23 :: 0.662 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.774(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.41 V 0.36 T 0.1 C 0.07 M 0.05 C Shift Assignments>> C :: 175.949 CA :: 60.568 CE :: 19.280 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.587(D) HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.C249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.52 I 0.36 C 0.09 W 0.01 C Shift Assignments>> C :: 178.328 CA :: 63.801 CB :: 26.926 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.603(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 111.618(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.18 W 0.12 R 0.12 K 0.09 Q 0.08 E 0.07 H 0.06 L 0.03 C Shift Assignments>> CA :: 59.380 CB :: 27.904 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.594(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.776(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C251 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 P 0.01 C Shift Assignments>> C :: 176.246 CA :: 52.532 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> HE1 :: 10.538 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> NE1 :: 131.756 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 Q 0.14 W 0.13 E 0.13 H 0.12 C 0.12 R 0.1 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 177.620 CA :: 57.211 CB :: 29.196 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.922(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.385(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K254 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 C 0.28 K 0.08 W 0.07 P 0.06 R 0.04 M 0.04 Q 0.03 H 0.03 E 0.02 C Shift Assignments>> C :: 177.098 CA :: 60.763 CB :: 32.752 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.097(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.171(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E255 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 C 0.14 H 0.14 K 0.12 R 0.11 L 0.1 W 0.1 E 0.05 M 0.03 C Shift Assignments>> CA :: 53.207 CB :: 28.417 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.537(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.773(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.6 P 0.28 C 0.09 C Shift Assignments>> C :: 178.512 CA :: 65.897 CB :: 32.264 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 K 0.14 E 0.12 Q 0.11 H 0.09 I 0.09 R 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 177.486 CA :: 58.734 CB :: 28.736 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.062(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 111.802(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.07 C Shift Assignments>> C :: 176.989 CA :: 56.325 CB :: 30.199 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.739(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.925(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.15 R 0.13 K 0.12 W 0.12 C 0.11 E 0.11 M 0.05 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> CA :: 55.044 CB :: 29.558 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.596(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.417(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P260 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.27 C 0.2 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 173.990 CA :: 62.418 CB :: 32.740 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.77 C 0.22 C Shift Assignments>> CA :: 59.471 CB :: 70.837 CG2 :: 21.721 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.410(D) HG21 :: 1.371 HG22 :: 1.371 HG23 :: 1.371 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.525(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F262 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 Y 0.26 F 0.18 C Shift Assignments>> C :: 178.696 CA :: 63.995 CB :: 36.970 CE1 :: 130.424 CE2 :: 132.862 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HE1 :: 6.543 HE2 :: 7.448 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.E263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 I 0.15 E 0.1 K 0.07 R 0.07 H 0.07 Q 0.06 V 0.04 M 0.01 C Shift Assignments>> C :: 178.782 CA :: 60.384 CB :: 29.554 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.437(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.582(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y264 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.55 C 0.44 C Shift Assignments>> CA :: 61.792 CB :: 38.061 CE1 :: 118.100 CE2 :: 118.088 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.341(D) HE1 :: 6.600 HE2 :: 6.599 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.874(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L265 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 L 0.44 K 0.02 C Shift Assignments>> C :: 177.999 CA :: 58.665 CD1 :: 25.908 CD2 :: 24.032 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HD11 :: 0.367 HD12 :: 0.367 HD13 :: 0.367 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.Q266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 C 0.12 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.944 CA :: 60.576 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.900(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.556(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A267 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 179.661 CA :: 55.324 CB :: 18.024(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.285(D) HB1 :: 1.425 HB2 :: 1.425 HB3 :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.222(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.33 W 0.19 H 0.1 C Shift Assignments>> C :: 179.005 CA :: 61.122 CE1 :: 131.462 CE2 :: 131.462 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.664(D) HE1 :: 7.234 HE2 :: 7.235 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.566(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L269 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 L 0.39 A 0.01 C Shift Assignments>> C :: 179.081 CA :: 57.794 CD1 :: 26.262 CD2 :: 22.356 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.324(D) HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.778(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E270 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.12 E 0.11 K 0.09 H 0.08 R 0.08 Q 0.07 V 0.03 M 0.01 C Shift Assignments>> C :: 178.549 CA :: 59.872 CB :: 29.420 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.680(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.679(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.23 K 0.11 N 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 177.299 CA :: 54.252 CB :: 41.281 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.490(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.196(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y272 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 176.872 CA :: 63.389 CB :: 40.175 CE1 :: 118.146 CE2 :: 118.145 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.170(D) HE1 :: 6.221 HE2 :: 6.220 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.720(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F273 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.39 F 0.3 C 0.29 C Shift Assignments>> C :: 174.623 CA :: 60.520 CB :: 38.034 CE1 :: 131.517 CE2 :: 131.517 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.732(D) HE1 :: 7.147 HE2 :: 7.147 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.406(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T274 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.489 CA :: 64.120 CB :: 69.517 CG2 :: 21.896 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.738(D) HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.843(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S275 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.628 CA :: 60.259 CB :: 64.046 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.237(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.726(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T276 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.765 CA :: 65.436 CB :: 68.633 CG2 :: 22.797 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.229(D) HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.421 Ave N Shift Values>> N :: 115.42(4.75) 1.E277 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.15 C 0.15 R 0.12 K 0.11 W 0.11 E 0.06 M 0.06 L 0.02 HN Overlap>> 1.A64 1.A64 C Shift Assignments>> CA :: 53.083 CB :: 29.307 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.847(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.002(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P278 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.45 V 0.39 C 0.1 I 0.01 W 0.01 C Shift Assignments>> C :: 177.742 CA :: 64.275 CB :: 31.784 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Q279 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.1 R 0.1 E 0.09 L 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 175.558 CA :: 55.363 CB :: 28.450 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.522(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.558(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y280 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 174.988 CA :: 59.879 CB :: 39.112 CE1 :: 118.476 CE2 :: 118.477 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.754(D) HE1 :: 6.815 HE2 :: 6.815 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.971(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q281 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 C 0.17 R 0.15 M 0.12 W 0.11 Q 0.11 E 0.05 K 0.04 P 0.03 C Shift Assignments>> CA :: 52.564 CB :: 30.453 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.834(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.679(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P282 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.4 C 0.13 W 0.01 C Shift Assignments>> C :: 177.469 CA :: 63.608 CB :: 32.463 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G283 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.283 CA :: 44.772 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.960(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.240(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E284 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.189 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.439 Ave N Shift Values>> N :: 120.67(3.48) 1.N285 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 173.731 CA :: 54.350 CB :: 41.038 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.367(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.221(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L286 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.37 C 0.21 C Shift Assignments>> CA :: 56.555 CB :: 44.952 CD1 :: 24.903 CD2 :: 24.019 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.929(D) HD11 :: 0.957 HD12 :: 0.957 HD13 :: 0.957 HD21 :: 0.921 HD22 :: 0.921 HD23 :: 0.921 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.206(D) Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 83 #Clerical: 198 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 249 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 36 Shift Relative Order (SRO) Results: #Consistent: 285 #Suspicious: 0 C Shift Results: #Consistent: 723 #Duplicate: 10 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 549 #Duplicate: 204 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 45 #Duplicate: 184 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K2 H = 8.369(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6545e-01 1.K2 N = 124.138(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1273e-01 1.Q4 H = 8.609(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.0969e-01 1.Q4 N = 120.826(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9486e-01 1.T5 H = 8.214(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6655e-01 1.Q6 H = 8.481(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5822e-01 1.Q6 N = 122.658(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4196e-01 1.G7 H = 8.457(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4509e-01 1.L8 H = 8.139(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8866e-01 1.L8 N = 121.726(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7259e-01 1.A9 CB = 19.232(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0344e-01 1.A9 H = 8.323(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.3757e-01 1.A9 N = 124.993(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1847e-01 1.K10 H = 8.292(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6501e-01 1.K10 N = 120.772(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4122e-01 1.D11 H = 8.445(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1595e-01 1.D11 N = 122.228(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8268e-01 1.A12 CB = 18.845(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2816e-01 1.A12 H = 8.338(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1809e-01 1.A12 N = 123.004(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4910e-01 1.W13 H = 8.500(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.9038e-01 1.W13 HE1 = 10.313(D), Expected = 10.08, Std = 0.6600, ChiSquare = 7.2407e-01 1.W13 N = 117.901(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.6596e-01 1.W13 NE1 = 129.071(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.0606e-01 1.E14 H = 7.596(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1347e-01 1.E14 N = 121.418(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2981e-01 1.I15 H = 8.173(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7497e-01 1.I15 N = 120.262(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7955e-01 1.R17 H = 9.438(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9538e-02 1.R17 N = 129.144(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.3366e-02 1.E18 H = 9.405(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8450e-02 1.E18 N = 114.835(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3596e-02 1.S19 H = 7.927(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.4964e-01 1.S19 N = 115.072(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3146e-01 1.L20 H = 7.937(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5216e-01 1.L20 N = 123.367(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9919e-01 1.R21 H = 8.587(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6946e-01 1.R21 N = 121.099(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3524e-01 1.L22 H = 8.794(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8556e-01 1.L22 HD21 = -0.291(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3043e-04 1.L22 HD22 = -0.291(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3043e-04 1.L22 HD23 = -0.291(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.3043e-04 1.L22 N = 129.108(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3104e-02 1.E23 H = 8.780(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4564e-01 1.E23 N = 122.402(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1869e-01 1.V24 H = 8.193(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8489e-01 1.V24 N = 117.702(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4889e-01 1.K25 H = 8.573(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2326e-01 1.K25 N = 131.489(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6235e-03 1.L26 H = 9.308(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7224e-02 1.L26 N = 129.268(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7501e-02 1.G27 H = 7.758(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.7886e-01 1.G27 N = 105.395(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.6931e-01 1.Q28 H = 8.411(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.4614e-01 1.Q28 N = 116.782(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8795e-01 1.G29 H = 8.412(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9961e-01 1.F31 H = 8.157(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7799e-01 1.F31 N = 114.964(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.8937e-01 1.G32 H = 7.073(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3132e-02 1.G32 N = 106.039(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4812e-01 1.E33 H = 8.360(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5945e-01 1.E33 N = 118.561(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4449e-01 1.V34 H = 8.295(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9405e-01 1.V34 N = 119.775(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6367e-01 1.W35 H = 9.874(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.4956e-02 1.W35 HE1 = 10.898(D), Expected = 10.08, Std = 0.6600, ChiSquare = 2.1520e-01 1.W35 N = 127.185(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.8784e-01 1.W35 NE1 = 131.887(D), Expected = 129.32, Std = 2.1100, ChiSquare = 2.2376e-01 1.M36 H = 9.835(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.6649e-03 1.M36 N = 120.931(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.1376e-01 1.G37 H = 9.061(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6075e-01 1.G37 N = 115.128(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5844e-01 1.T38 H = 8.702(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5617e-01 1.T38 N = 114.611(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6476e-01 1.W39 H = 9.788(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.7933e-02 1.W39 HE1 = 9.742(D), Expected = 10.08, Std = 0.6600, ChiSquare = 6.0857e-01 1.W39 N = 128.937(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.2542e-02 1.W39 NE1 = 130.001(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.4689e-01 1.N40 H = 9.653(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.7149e-02 1.N40 N = 124.597(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.5966e-01 1.G41 H = 9.025(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8497e-01 1.G41 N = 105.921(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3268e-01 1.T42 H = 7.595(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9819e-01 1.T42 N = 109.129(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8536e-01 1.T43 H = 7.959(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5039e-01 1.T43 N = 120.195(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.1477e-01 1.R44 H = 9.273(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.0371e-02 1.R44 N = 131.270(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4396e-03 1.V45 H = 8.609(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3399e-01 1.V45 N = 116.418(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9830e-01 1.A46 CB = 20.899(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.0196e-01 1.A46 H = 8.749(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6019e-01 1.A46 N = 122.707(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8255e-01 1.I47 H = 9.519(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8446e-02 1.I47 N = 121.219(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5510e-01 1.K48 H = 9.366(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9996e-02 1.K48 N = 128.407(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1003e-02 1.T49 H = 9.279(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.3776e-02 1.G53 H = 9.081(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4793e-01 1.G53 N = 111.604(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1726e-01 1.S56 H = 8.814(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6542e-01 1.S56 N = 119.377(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7895e-01 1.E58 H = 8.620(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2305e-01 1.E58 N = 115.026(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0484e-01 1.A59 CB = 18.455(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6168e-01 1.A59 H = 7.826(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3307e-01 1.A59 N = 122.546(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4679e-01 1.F60 H = 8.246(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.7419e-01 1.F60 N = 121.016(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9229e-01 1.M67 H = 7.612(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.8014e-01 1.K69 H = 7.150(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3037e-02 1.K69 N = 115.493(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4048e-01 1.H72 H = 8.565(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.3269e-01 1.H72 N = 124.395(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.3949e-01 1.E73 H = 7.782(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5299e-01 1.E73 N = 124.711(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4556e-01 1.K74 H = 10.516(S), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0590e-04 1.K74 N = 118.636(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2197e-01 1.L75 H = 7.960(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7786e-01 1.L75 N = 120.365(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0147e-01 1.V76 H = 8.497(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.5736e-01 1.V76 N = 124.017(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.2628e-01 1.Q77 H = 9.192(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9464e-02 1.Q77 N = 126.380(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1423e-02 1.L78 H = 8.559(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1275e-01 1.L78 N = 124.961(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2654e-01 1.Y79 H = 9.358(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.5505e-01 1.Y79 N = 123.706(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.4811e-01 1.A80 H = 8.186(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8138e-01 1.V81 H = 8.326(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5715e-01 1.V81 N = 114.015(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1656e-01 1.V82 H = 8.574(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7165e-01 1.V82 N = 121.851(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7555e-01 1.E84 H = 6.798(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4149e-03 1.E84 N = 119.745(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9039e-01 1.E85 H = 8.600(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4722e-01 1.E85 N = 122.380(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.2316e-01 1.I89 H = 9.216(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6868e-01 1.I89 N = 119.872(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1062e-01 1.V90 H = 8.696(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4453e-01 1.V90 N = 128.449(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0742e-01 1.T91 H = 9.652(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2761e-02 1.T91 N = 119.402(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.0185e-01 1.E92 H = 7.606(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1978e-01 1.E92 N = 118.050(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5153e-01 1.Y93 H = 8.661(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.4041e-01 1.Y93 N = 124.744(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.1455e-01 1.M94 H = 8.162(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7026e-01 1.M94 N = 129.101(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.1600e-02 1.S95 H = 8.461(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.5901e-01 1.S95 N = 118.135(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9820e-01 1.K96 H = 8.445(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7084e-01 1.K96 N = 119.818(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4383e-01 1.G97 H = 7.212(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5432e-02 1.G97 N = 105.811(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.1869e-01 1.S98 H = 8.805(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7356e-01 1.S98 N = 114.898(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9460e-01 1.L99 H = 9.507(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9459e-02 1.L99 N = 125.883(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0229e-01 1.L100 H = 6.836(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1984e-02 1.L100 N = 116.799(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9439e-01 1.D101 H = 7.208(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.7433e-02 1.D101 N = 115.546(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.8607e-01 1.F102 H = 8.648(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.8916e-01 1.F102 N = 122.920(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.5458e-01 1.L103 H = 8.526(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4883e-01 1.L103 N = 117.159(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2805e-01 1.K104 H = 7.129(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7005e-02 1.K104 N = 112.610(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5174e-02 1.G105 H = 7.381(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4429e-01 1.G105 N = 106.431(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0262e-01 1.E106 H = 8.705(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.2504e-01 1.E106 N = 119.145(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6123e-01 1.T107 H = 7.851(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3038e-01 1.G108 H = 7.446(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7383e-01 1.G108 N = 108.826(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2736e-01 1.K109 H = 7.455(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.2058e-01 1.K109 N = 119.060(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9760e-01 1.Y110 H = 7.398(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.0658e-01 1.Y110 N = 115.257(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.1017e-01 1.L111 H = 7.188(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0892e-01 1.L111 N = 119.234(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0074e-01 1.R112 H = 8.678(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.7274e-01 1.R112 N = 121.068(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4194e-01 1.Q115 H = 7.288(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.1418e-01 1.Q115 N = 114.832(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.6002e-01 1.V117 H = 8.911(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5400e-01 1.V117 N = 118.371(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4192e-01 1.D118 H = 7.644(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5085e-01 1.D118 N = 120.499(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6880e-01 1.A120 H = 7.643(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5323e-01 1.A121 CB = 17.810(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1199e-01 1.A121 H = 9.099(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3405e-01 1.A121 N = 121.540(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3308e-01 1.Q122 H = 8.375(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9277e-01 1.Q122 N = 119.831(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8692e-01 1.A124 H = 8.961(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0468e-01 1.A124 N = 120.525(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4479e-01 1.S125 H = 8.052(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9917e-01 1.S125 N = 112.681(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0657e-01 1.G126 H = 7.888(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.9650e-01 1.M127 H = 8.894(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.9066e-01 1.A128 CB = 16.566(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8171e-01 1.A128 H = 8.825(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.9757e-01 1.A128 N = 124.452(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2995e-01 1.Y129 H = 7.296(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.6069e-01 1.Y129 N = 122.398(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.5477e-01 1.V130 H = 7.635(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.2827e-01 1.E131 H = 7.985(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5872e-01 1.E131 N = 112.806(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.3836e-02 1.R132 H = 8.083(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.9689e-01 1.R132 N = 121.273(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9773e-01 1.M133 H = 7.785(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.2856e-01 1.N134 H = 8.007(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.9710e-01 1.N134 N = 113.590(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.8515e-01 1.R141 H = 6.713(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.2305e-02 1.R141 N = 115.745(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.6955e-01 1.A142 CB = 16.147(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.1770e-01 1.A142 H = 10.418(S), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1845e-04 1.A142 N = 126.797(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1363e-01 1.A143 CB = 18.504(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8216e-01 1.A143 H = 9.548(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4661e-02 1.A143 N = 118.241(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5874e-01 1.N144 H = 7.740(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.4090e-01 1.I145 H = 8.020(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.0220e-01 1.I145 N = 122.424(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2180e-01 1.L146 H = 8.869(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2557e-01 1.L146 N = 126.256(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5967e-01 1.V147 H = 8.553(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9466e-01 1.V147 N = 120.206(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3700e-01 1.G148 H = 8.864(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1134e-01 1.G148 N = 114.885(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7780e-01 1.E149 H = 8.288(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4325e-01 1.E149 N = 118.674(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6626e-01 1.N150 H = 9.204(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7024e-01 1.N150 N = 116.955(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.2408e-01 1.L151 H = 8.497(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8124e-01 1.L151 N = 111.625(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6812e-03 1.V152 H = 6.771(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3380e-02 1.V152 N = 118.600(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7584e-01 1.C153 H = 8.161(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.3251e-01 1.C153 N = 123.390(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.8770e-01 1.K154 H = 8.576(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2001e-01 1.K154 N = 113.958(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9949e-02 1.V155 H = 8.819(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2979e-01 1.V155 N = 122.661(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3761e-01 1.W181 HE1 = 10.460(D), Expected = 10.08, Std = 0.6600, ChiSquare = 5.6478e-01 1.W181 NE1 = 132.228(D), Expected = 129.32, Std = 2.1100, ChiSquare = 1.6814e-01 1.E185 H = 9.146(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6665e-01 1.E185 N = 114.903(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7482e-02 1.A186 H = 6.614(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2094e-03 1.A186 HB1 = 0.194(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7421e-06 1.A186 HB2 = 0.194(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7421e-06 1.A186 HB3 = 0.194(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7421e-06 1.A186 N = 126.301(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8566e-01 1.A187 CB = 19.290(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7839e-01 1.A187 H = 7.691(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9625e-01 1.A187 N = 119.696(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1813e-01 1.L188 H = 8.399(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9486e-01 1.L188 N = 113.793(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8597e-02 1.Y189 H = 6.386(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.0655e-03 1.Y189 N = 112.559(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.8030e-02 1.G190 H = 7.400(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.5250e-01 1.R191 H = 7.092(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9841e-02 1.R191 N = 120.243(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7969e-01 1.F192 H = 8.788(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5221e-01 1.I194 H = 9.651(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.3782e-02 1.I194 N = 123.030(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1375e-01 1.S196 H = 8.640(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.4175e-01 1.S196 N = 120.252(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5915e-01 1.D197 H = 8.435(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2936e-01 1.D197 N = 119.222(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1142e-01 1.V198 H = 8.257(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6072e-01 1.V198 N = 123.121(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6259e-01 1.W199 H = 7.437(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.8025e-01 1.W199 HE1 = 10.536(D), Expected = 10.08, Std = 0.6600, ChiSquare = 4.8962e-01 1.W199 N = 120.862(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.4485e-01 1.W199 NE1 = 131.756(D), Expected = 129.32, Std = 2.1100, ChiSquare = 2.4829e-01 1.S200 H = 8.700(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7655e-01 1.S200 N = 115.906(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1538e-01 1.F201 H = 9.467(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.2417e-01 1.F201 N = 123.626(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.4737e-01 1.G202 H = 8.337(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9141e-01 1.E207 H = 7.810(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7813e-01 1.E207 N = 124.618(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5659e-01 1.L208 H = 8.450(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3502e-01 1.L208 N = 116.263(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5125e-01 1.T209 H = 7.642(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3479e-01 1.T210 H = 7.553(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.6783e-01 1.K211 H = 8.001(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5276e-01 1.K211 N = 118.100(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3392e-01 1.G212 H = 9.312(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3085e-01 1.G212 N = 102.997(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4656e-02 1.R213 H = 7.556(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.6216e-01 1.R213 N = 122.495(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4509e-01 1.V214 H = 8.241(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4170e-01 1.V214 N = 127.236(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.7936e-01 1.Y216 H = 7.540(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8530e-01 1.Y216 N = 114.788(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7233e-01 1.G218 H = 8.882(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9575e-01 1.M219 H = 8.004(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.6962e-01 1.V220 H = 8.618(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2445e-01 1.V220 N = 117.879(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7258e-01 1.N221 H = 8.771(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.9390e-01 1.N221 N = 121.791(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7775e-01 1.R222 H = 8.607(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.4741e-01 1.R222 N = 116.016(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.9360e-01 1.E223 H = 7.326(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.8813e-02 1.E223 N = 118.152(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6933e-01 1.V224 H = 7.417(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9258e-01 1.V224 N = 118.528(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6507e-01 1.L225 H = 7.896(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0736e-01 1.L225 N = 117.281(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4035e-01 1.D226 H = 7.934(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1681e-01 1.D226 N = 117.509(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1580e-01 1.Q227 H = 7.977(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8044e-01 1.Q227 N = 115.956(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7449e-01 1.V228 H = 9.149(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9981e-01 1.V228 N = 120.839(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4714e-01 1.E229 H = 8.523(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4358e-01 1.E229 N = 123.659(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9039e-01 1.R230 H = 7.328(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.3489e-01 1.R230 N = 116.151(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.0648e-01 1.G231 H = 7.772(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9064e-01 1.G231 N = 106.002(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4323e-01 1.Y232 H = 8.399(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.1382e-01 1.Y232 N = 123.999(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.0748e-01 1.R233 H = 6.977(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8406e-02 1.R233 N = 125.806(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.7373e-01 1.C236 H = 8.018(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.7874e-01 1.C236 N = 120.988(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.6006e-01 1.E239 H = 8.737(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9030e-01 1.E239 N = 115.338(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2548e-01 1.C240 H = 7.945(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.0658e-01 1.C240 N = 122.361(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.3679e-01 1.E242 H = 9.218(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3230e-01 1.E242 N = 127.355(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4735e-02 1.S243 H = 9.014(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1347e-01 1.S243 N = 112.740(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1457e-01 1.L244 H = 7.514(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7066e-01 1.L244 N = 123.180(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3502e-01 1.H245 H = 7.618(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.6035e-01 1.H245 N = 121.177(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.1008e-01 1.D246 H = 9.212(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.1990e-01 1.D246 N = 120.818(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6528e-01 1.L247 H = 6.806(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8469e-02 1.L247 N = 119.774(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9274e-01 1.M248 H = 8.587(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.8575e-01 1.C249 H = 7.603(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.4014e-01 1.C249 N = 111.618(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.5314e-02 1.Q250 H = 7.594(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.8868e-01 1.Q250 N = 120.776(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0560e-01 1.R253 H = 6.922(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0722e-02 1.R253 N = 119.385(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.0060e-01 1.K254 H = 9.097(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3062e-01 1.K254 N = 124.171(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0775e-01 1.E255 H = 8.537(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2570e-01 1.E255 N = 118.773(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8567e-01 1.E257 H = 9.062(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1472e-01 1.E257 N = 111.802(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0826e-02 1.E258 H = 7.739(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1649e-01 1.E258 N = 115.925(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7272e-01 1.R259 H = 7.596(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.9109e-01 1.R259 N = 121.417(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.6685e-01 1.T261 H = 7.410(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.8066e-01 1.T261 N = 104.525(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1809e-02 1.E263 H = 8.437(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5609e-01 1.E263 N = 120.582(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7983e-01 1.Y264 H = 8.341(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.7705e-01 1.Y264 N = 121.874(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.4716e-01 1.Q266 H = 8.900(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4910e-01 1.Q266 N = 117.556(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1677e-01 1.A267 CB = 18.024(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9003e-01 1.A267 H = 7.285(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2726e-01 1.A267 N = 120.222(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9548e-01 1.F268 H = 8.664(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.7286e-01 1.F268 N = 118.566(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5219e-01 1.L269 H = 8.324(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8501e-01 1.L269 N = 117.778(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9525e-01 1.E270 H = 8.680(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5303e-01 1.E270 N = 119.679(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7582e-01 1.D271 H = 7.490(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5742e-01 1.D271 N = 116.196(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4855e-01 1.Y272 H = 7.170(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1518e-01 1.Y272 N = 122.720(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.0041e-01 1.F273 H = 8.732(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.0539e-01 1.F273 N = 114.406(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4820e-01 1.T274 H = 7.738(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1813e-01 1.T274 N = 112.843(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8746e-01 1.S275 H = 8.237(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4190e-01 1.S275 N = 114.726(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5887e-01 1.T276 H = 7.229(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0297e-01 1.E277 H = 7.847(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1299e-01 1.E277 N = 119.002(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3172e-01 1.Q279 H = 8.522(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0875e-01 1.Q279 N = 118.558(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1138e-01 1.Y280 H = 7.754(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3814e-01 1.Y280 N = 121.971(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.2974e-01 1.Q281 H = 7.834(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1296e-01 1.Q281 N = 126.679(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9318e-02 1.G283 H = 8.960(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3243e-01 1.G283 N = 112.240(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0664e-01 1.N285 H = 9.367(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.0307e-01 1.N285 N = 117.221(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.7151e-01 1.L286 H = 7.929(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4331e-01 1.L286 N = 125.206(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9092e-01