Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.28 Q 0.27 K 0.2 E 0.1 H 0.04 R 0.03 Y 0.01 V 0.01 C Shift Assignments>> C :: 174.807 CA :: 55.841 CB :: 34.465 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) 1.L2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.9 G 0.06 A 0.01 HN Overlap>> 1.L177 1.L177 C Shift Assignments>> C :: 176.060 CA :: 54.261 CB :: 42.927 CD1 :: 25.284 CD2 :: 24.010 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 :: 8.974(D) HD11 :: 0.668 HD12 :: 0.668 HD13 :: 0.668 HD21 :: 0.759 HD22 :: 0.759 HD23 :: 0.759 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 :: 124.960(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 Q 0.27 K 0.22 H 0.07 R 0.07 E 0.02 V 0.01 C Shift Assignments>> C :: 176.202 CA :: 55.212 CB :: 33.581 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 :: 8.343(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 :: 122.896(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.781 CA :: 44.405 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.524(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.762(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.017 CA :: 61.179 CB :: 32.563 CG1 :: 20.613 CG2 :: 20.073 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 :: 8.898(D) HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 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 :: 125.557(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.43 C Shift Assignments>> C :: 175.456 CA :: 52.703 CB :: 16.494 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.898(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.813(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 L 0.12 M 0.01 C Shift Assignments>> C :: 176.030 CA :: 52.468 CB :: 21.087 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.121(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.628(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.381 CA :: 54.286 CB :: 64.164 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.644(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 :: 112.624(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.5 P 0.43 K 0.01 R 0.01 C Shift Assignments>> C :: 175.126 CA :: 62.780 CB :: 32.377 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.G10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.36 L 0.31 D 0.08 K 0.07 F 0.06 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 171.425 CA :: 42.987 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.642(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.839(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.E233 1.E233 C Shift Assignments>> C :: 173.945 CA :: 59.118 CB :: 40.809 CD1 :: 13.091 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 :: 8.632(D) HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 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 :: 119.412(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 L 0.11 G 0.06 C Shift Assignments>> C :: 175.300 CA :: 49.304 CB :: 21.948 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.967(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.067(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.D238 1.D238 1.I219 1.E55 1.I219 1.E55 C Shift Assignments>> C :: 175.485 CA :: 59.710 CB :: 40.216 CD1 :: 14.065 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 :: 8.473(D) HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 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 :: 121.336(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 170.509 CA :: 45.244 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.620(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.103(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.23 Q 0.21 R 0.11 H 0.1 E 0.04 V 0.01 C Shift Assignments>> C :: 176.756 CA :: 55.620 CB :: 33.052 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 :: 8.774(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 :: 120.763(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.05 L 0.01 C Shift Assignments>> C :: 177.911 CA :: 52.067 CB :: 19.729 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.126(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.217(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.2 F 0.19 Y 0.14 D 0.13 R 0.04 I 0.02 N 0.01 C Shift Assignments>> C :: 173.199 CA :: 56.983 CB :: 41.495 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 :: 9.240(D) 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 :: 126.959(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.9 A 0.09 C Shift Assignments>> C :: 174.576 CA :: 53.223 CB :: 40.930 CD1 :: 23.503 CD2 :: 23.248 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 :: 7.749(D) HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.896(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.29 Y 0.22 F 0.19 D 0.12 E 0.05 L 0.04 I 0.02 M 0.02 C Shift Assignments>> C :: 174.173 CA :: 55.324 CB :: 38.269 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 :: 9.095(D) 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 :: 129.159(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.E125 1.E125 C Shift Assignments>> C :: 172.918 CA :: 59.541 CB :: 69.787 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 :: 7.606(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.932(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.2 R 0.17 H 0.16 Q 0.08 E 0.08 V 0.01 C Shift Assignments>> C :: 176.271 CA :: 55.222 CB :: 32.158 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 :: 8.046(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 :: 123.087(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 Q 0.19 R 0.18 E 0.16 K 0.14 M 0.08 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> C :: 176.161 CA :: 55.539 CB :: 29.825 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 :: 8.379(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 :: 123.950(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 K 0.2 R 0.17 H 0.16 E 0.09 Q 0.07 V 0.01 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 176.671 CA :: 55.636 CB :: 32.085 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 :: 8.350(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 :: 123.947(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.648 CA :: 61.466 CB :: 32.188 CG1 :: 21.550 CG2 :: 20.172 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 :: 8.162(D) HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 122.801(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.216 CA :: 61.330 CB :: 69.344 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 :: 8.127(D) 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 :: 121.744(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.051 CA :: 58.743 CB :: 36.959 CD1 :: 10.856 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.955(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 :: 126.149(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.16 Y 0.06 F 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 175.677 CA :: 52.820 CB :: 38.571 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 :: 9.319(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 :: 127.566(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 176.823 CA :: 60.766 CB :: 30.578 CG1 :: 21.083 CG2 :: 17.799 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 :: 7.984(D) HG11 :: 0.735 HG12 :: 0.735 HG13 :: 0.735 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.533(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 Q 0.19 E 0.17 R 0.17 K 0.15 M 0.07 I 0.01 HN Overlap>> 1.K242 1.V202 1.K242 1.V202 C Shift Assignments>> C :: 176.477 CA :: 56.103 CB :: 29.662 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 :: 7.900(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 :: 123.610(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 K 0.21 R 0.15 H 0.14 Q 0.11 E 0.07 V 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 178.370 CA :: 55.300 CB :: 32.404 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 :: 8.288(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 :: 122.256(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.511 CA :: 59.246 CB :: 39.407 CD1 :: 14.342 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 :: 8.085(D) HD11 :: 0.511 HD12 :: 0.511 HD13 :: 0.511 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.455(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.22 R 0.2 Q 0.18 E 0.16 M 0.11 K 0.09 C Shift Assignments>> C :: 178.433 CA :: 55.417 CB :: 30.305 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 :: 7.859(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 :: 118.522(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 K 0.18 E 0.16 Q 0.13 H 0.12 R 0.1 M 0.01 V 0.01 L 0.01 HN Overlap>> 1.V218 1.V218 C Shift Assignments>> C :: 178.657 CA :: 59.525 CB :: 28.723 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 :: 9.040(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 :: 122.850(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.676 CA :: 59.552 CB :: 62.002 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.121(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 :: 112.064(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.19 R 0.18 H 0.17 E 0.08 Q 0.07 C Shift Assignments>> C :: 176.736 CA :: 54.990 CB :: 32.008 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 :: 7.995(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 :: 121.747(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.465 CA :: 66.739 CB :: 31.674 CG1 :: 24.789 CG2 :: 21.785 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 :: 7.364(D) HG11 :: 1.141 HG12 :: 1.141 HG13 :: 1.141 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 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 :: 122.460(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 R 0.14 K 0.12 Q 0.11 E 0.1 H 0.08 L 0.03 P 0.02 C Shift Assignments>> C :: 179.760 CA :: 59.793 CB :: 27.988 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 :: 8.539(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 :: 117.844(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 E 0.18 Q 0.16 H 0.14 I 0.13 R 0.11 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.006 CA :: 58.843 CB :: 28.852 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 :: 7.994(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 :: 121.406(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 E 0.18 Q 0.15 H 0.14 I 0.14 R 0.12 M 0.02 V 0.01 L 0.01 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> C :: 179.322 CA :: 59.023 CB :: 29.018 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 :: 8.187(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 :: 122.261(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.I108 1.S146 1.I108 1.S146 1.L130 1.L130 C Shift Assignments>> C :: 178.046 CA :: 65.879 CB :: 36.819 CD1 :: 13.782 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 :: 8.569(D) HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 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 :: 120.698(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.27 I 0.04 C Shift Assignments>> C :: 181.200 CA :: 55.187 CB :: 17.264 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.185(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.649(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.19 R 0.16 K 0.15 E 0.14 H 0.13 M 0.11 Q 0.05 I 0.01 P 0.01 HN Overlap>> 1.Y122 1.Y122 C Shift Assignments>> C :: 179.957 CA :: 59.570 CB :: 31.632 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 :: 8.220(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 :: 120.191(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 Y 0.27 F 0.18 E 0.11 M 0.01 V 0.01 C Shift Assignments>> C :: 175.606 CA :: 60.096 CB :: 37.474 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 :: 8.203(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.971(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 K 0.18 Q 0.16 E 0.15 H 0.12 R 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 179.567 CA :: 58.993 CB :: 28.209 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 :: 8.748(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 :: 119.084(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.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 R 0.2 H 0.18 Q 0.12 K 0.11 M 0.09 V 0.04 I 0.02 HN Overlap>> 1.I93 1.I93 C Shift Assignments>> C :: 177.862 CA :: 58.162 CB :: 30.784 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 :: 7.995(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 :: 120.325(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.46 I 0.01 C Shift Assignments>> C :: 181.740 CA :: 54.477 CB :: 18.072 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.059(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.602(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.98 C Shift Assignments>> C :: 178.103 CA :: 57.846 CB :: 40.843 CD1 :: 24.646 CD2 :: 22.809 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 :: 8.803(D) HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 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 :: 123.698(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 K 0.18 E 0.17 Q 0.14 H 0.12 R 0.11 M 0.02 V 0.02 L 0.01 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 179.721 CA :: 59.477 CB :: 28.898 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 :: 7.681(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 :: 121.133(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.543 CA :: 65.670 CB :: 31.376 CG1 :: 22.092 CG2 :: 20.602 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 :: 8.169(D) HG11 :: 1.071 HG12 :: 1.071 HG13 :: 1.071 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 119.436(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.D232 1.D232 1.E59 1.E109 1.E59 1.E109 C Shift Assignments>> C :: 175.964 CA :: 67.592 CB :: 68.773 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 :: 8.044(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.760(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 R 0.2 Q 0.1 E 0.08 K 0.08 H 0.07 L 0.06 P 0.02 HN Overlap>> 1.L130 1.L130 C Shift Assignments>> C :: 177.839 CA :: 59.694 CB :: 27.449 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 :: 8.512(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 :: 120.823(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 I 0.18 E 0.17 Q 0.15 H 0.13 R 0.1 M 0.02 L 0.01 V 0.01 HN Overlap>> 1.K56 1.K56 C Shift Assignments>> C :: 179.170 CA :: 59.201 CB :: 28.740 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 :: 7.895(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 :: 119.311(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 E 0.18 I 0.16 Q 0.14 H 0.13 R 0.12 M 0.02 V 0.02 C Shift Assignments>> C :: 179.706 CA :: 59.245 CB :: 29.053 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 :: 8.363(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 :: 120.266(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> C :: 177.794 CA :: 65.148 CB :: 37.069 CD1 :: 14.512 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 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 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.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 R 0.16 K 0.11 Q 0.11 E 0.1 H 0.08 L 0.04 P 0.02 HN Overlap>> 1.D238 1.I13 1.I219 1.D238 1.I13 1.I219 C Shift Assignments>> C :: 179.168 CA :: 59.690 CB :: 27.846 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 :: 8.393(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 :: 121.264(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 E 0.17 H 0.15 K 0.14 V 0.11 M 0.11 Q 0.08 I 0.02 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 180.072 CA :: 59.093 CB :: 31.300 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 :: 7.885(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 :: 119.279(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.A127 1.A127 C Shift Assignments>> C :: 177.786 CA :: 64.816 CB :: 36.831 CD1 :: 13.093 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 :: 7.919(D) HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 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 :: 122.688(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.21 R 0.16 E 0.15 H 0.12 K 0.1 M 0.06 Q 0.06 I 0.05 P 0.03 C Shift Assignments>> C :: 177.810 CA :: 60.111 CB :: 31.069 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 :: 8.532(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 :: 122.505(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 E 0.17 Q 0.16 I 0.14 H 0.13 R 0.11 M 0.02 L 0.01 V 0.01 HN Overlap>> 1.T50 1.T50 C Shift Assignments>> C :: 179.094 CA :: 58.968 CB :: 28.873 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 :: 8.007(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 :: 118.655(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 K 0.16 E 0.15 H 0.14 M 0.12 V 0.12 Q 0.07 I 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 178.514 CA :: 59.053 CB :: 31.542 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 :: 7.712(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 :: 121.091(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.35 I 0.02 C Shift Assignments>> C :: 179.936 CA :: 54.694 CB :: 17.296 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.578(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.011(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.98 HN Overlap>> 1.A103 1.A103 C Shift Assignments>> C :: 178.974 CA :: 57.681 CB :: 41.127 CD1 :: 24.987 CD2 :: 23.425 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 :: 8.472(D) HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 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 :: 120.089(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 M 0.17 R 0.17 H 0.14 E 0.12 V 0.09 Q 0.06 HN Overlap>> 1.L97 1.L97 1.K69 1.K69 C Shift Assignments>> C :: 178.245 CA :: 58.365 CB :: 32.071 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 :: 7.563(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 :: 117.897(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.21 H 0.18 R 0.18 Q 0.17 K 0.12 M 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 177.394 CA :: 57.707 CB :: 29.993 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 :: 8.174(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 :: 116.769(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.21 K 0.18 L 0.15 D 0.1 I 0.04 R 0.01 C Shift Assignments>> C :: 176.584 CA :: 57.677 CB :: 41.127 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 :: 8.525(D) 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 :: 115.400(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.45 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 174.387 CA :: 44.350 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.100(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.071(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.19 K 0.18 R 0.15 M 0.13 H 0.12 E 0.12 Q 0.04 P 0.01 I 0.01 C Shift Assignments>> C :: 178.198 CA :: 59.383 CB :: 31.991 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 :: 8.471(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 :: 119.664(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 R 0.15 K 0.14 Q 0.12 E 0.12 H 0.09 L 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 177.453 CA :: 59.539 CB :: 28.078 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 :: 8.871(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 :: 118.660(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 H 0.18 M 0.17 E 0.15 K 0.15 Q 0.1 V 0.01 HN Overlap>> 1.L97 1.K63 1.L97 1.K63 C Shift Assignments>> C :: 176.749 CA :: 56.685 CB :: 31.322 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 :: 7.604(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 :: 117.891(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.38 I 0.01 HN Overlap>> 1.M115 1.M115 C Shift Assignments>> C :: 178.548 CA :: 54.411 CB :: 18.443 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.695(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.975(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 E 0.18 Q 0.16 H 0.14 I 0.12 R 0.11 M 0.02 L 0.01 V 0.01 HN Overlap>> 1.S196 1.I199 1.S196 1.I199 C Shift Assignments>> C :: 179.145 CA :: 58.739 CB :: 28.858 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 :: 7.874(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 :: 116.918(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.880 CA :: 63.460 CB :: 36.770 CD1 :: 13.250 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 :: 7.281(D) HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 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 :: 119.925(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 Y 0.28 F 0.2 E 0.1 M 0.01 C Shift Assignments>> C :: 177.806 CA :: 60.004 CB :: 37.609 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 :: 6.791(D) 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 :: 116.776(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.19 K 0.18 E 0.15 Q 0.15 H 0.12 R 0.11 L 0.02 M 0.01 C Shift Assignments>> C :: 179.338 CA :: 59.045 CB :: 28.452 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) 1.A75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.68 A 0.28 I 0.02 C Shift Assignments>> C :: 180.595 CA :: 54.833 CB :: 16.876 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.601(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.864(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 E 0.17 H 0.15 V 0.13 K 0.12 M 0.09 Q 0.08 I 0.03 P 0.01 HN Overlap>> 1.E244 1.E244 C Shift Assignments>> C :: 177.620 CA :: 59.409 CB :: 31.160 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 :: 7.942(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 :: 118.256(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.24 L 0.14 K 0.12 D 0.1 I 0.06 N 0.01 HN Overlap>> 1.E237 1.E237 C Shift Assignments>> C :: 179.692 CA :: 57.666 CB :: 40.790 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 :: 8.124(D) 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 :: 119.694(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 S 0.11 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 178.695 CA :: 58.137 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 :: 8.009(D) 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 :: 120.127(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 K 0.03 A 0.02 HN Overlap>> 1.N207 1.N207 C Shift Assignments>> C :: 178.396 CA :: 57.659 CB :: 40.978 CD1 :: 26.332 CD2 :: 22.474 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 :: 7.992(D) HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 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 :: 121.160(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.66 M 0.33 C Shift Assignments>> C :: 175.512 CA :: 52.832 CB :: 17.373 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.974(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.384(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.873 CA :: 56.427 CB :: 63.486 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.234(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 :: 108.034(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.29 R 0.09 N 0.08 K 0.08 F 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.454 CA :: 51.998 CB :: 42.353 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 :: 7.088(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 :: 125.564(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.5 V 0.46 I 0.02 C Shift Assignments>> C :: 179.049 CA :: 64.697 CB :: 31.604 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.E84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 E 0.17 Q 0.16 I 0.14 H 0.13 R 0.11 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 180.512 CA :: 58.843 CB :: 28.737 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 :: 8.453(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 :: 117.612(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> C :: 177.659 CA :: 58.045 CB :: 40.842 CD1 :: 24.966 CD2 :: 23.963 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 :: 7.604(D) HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 124.293(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.658 CA :: 65.945 CB :: 38.090 CD1 :: 13.755 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 :: 7.522(D) HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 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 :: 118.645(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 E 0.18 Q 0.17 H 0.14 I 0.12 R 0.11 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.190 CA :: 58.662 CB :: 28.815 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 :: 8.310(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 :: 117.764(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.860 CA :: 46.725 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.798(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.756(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.L217 1.L217 C Shift Assignments>> C :: 177.556 CA :: 66.577 CB :: 31.224 CG1 :: 22.442 CG2 :: 19.072 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 :: 8.165(D) HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: -0.340(S) HG22 :: -0.340(S) HG23 :: -0.340(S) 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 :: 123.433(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 P 0.09 K 0.09 E 0.07 R 0.07 Q 0.06 H 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 178.958 CA :: 60.892 CB :: 28.263 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 :: 8.189(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 :: 118.298(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.21 N 0.18 E 0.1 D 0.08 I 0.05 M 0.03 L 0.03 C Shift Assignments>> C :: 178.195 CA :: 55.983 CB :: 38.015 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 :: 8.672(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 :: 115.217(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 E 0.16 H 0.15 K 0.15 V 0.12 M 0.1 Q 0.08 I 0.01 C Shift Assignments>> C :: 178.215 CA :: 59.057 CB :: 31.392 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 :: 7.799(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.064(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 177.950 CA :: 66.375 CB :: 38.301 CD1 :: 14.385 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 :: 7.989(D) HD11 :: 0.569 HD12 :: 0.569 HD13 :: 0.569 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 :: 120.321(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 V 0.19 M 0.15 Q 0.13 R 0.11 H 0.08 E 0.06 C Shift Assignments>> C :: 177.798 CA :: 59.133 CB :: 32.880 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 :: 7.538(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 :: 113.313(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.272 CA :: 64.163 CB :: 69.635 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 :: 8.228(D) 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 :: 109.476(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 H 0.19 K 0.17 E 0.16 R 0.16 M 0.06 I 0.01 L 0.01 HN Overlap>> 1.I138 1.I138 C Shift Assignments>> C :: 179.151 CA :: 55.892 CB :: 29.492 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 :: 8.315(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 :: 120.060(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 L 0.31 K 0.12 HN Overlap>> 1.K63 1.K69 1.K63 1.K69 C Shift Assignments>> C :: 176.744 CA :: 55.543 CB :: 36.061(S) CD1 :: 25.899 CD2 :: 23.248 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 :: 7.607(D) HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 117.895(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 A 0.45 C Shift Assignments>> C :: 174.103 CA :: 57.450 CB :: 33.681 CG1 :: 21.987 CG2 :: 17.990 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 :: 6.408(D) HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 0.543 HG22 :: 0.543 HG23 :: 0.543 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 :: 107.822(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.701 CA :: 60.712 CB :: 70.558 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 :: 8.711(D) 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 :: 106.907(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.51 M 0.43 I 0.02 C Shift Assignments>> C :: 178.457 CA :: 55.042 CB :: 18.694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.574(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.208(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.26 D 0.16 N 0.14 L 0.09 I 0.04 E 0.01 C Shift Assignments>> C :: 176.493 CA :: 56.127 CB :: 39.159 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 :: 9.190(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 :: 112.018(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 Y 0.18 F 0.15 D 0.12 E 0.05 L 0.04 M 0.03 I 0.02 C Shift Assignments>> C :: 176.686 CA :: 54.844 CB :: 38.161 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.082(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 :: 119.756(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 M 0.26 L 0.02 V 0.01 I 0.01 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 179.033 CA :: 54.884 CB :: 19.553 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.557(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.032(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.868 CA :: 66.648 CB :: 31.137 CG1 :: 25.270 CG2 :: 22.357 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 :: 8.536(D) HG11 :: 1.061 HG12 :: 1.061 HG13 :: 1.061 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 115.944(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.32 D 0.1 I 0.08 L 0.08 N 0.04 C Shift Assignments>> C :: 177.010 CA :: 57.340 CB :: 39.546 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.606(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 :: 116.559(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 V 0.19 R 0.15 M 0.13 H 0.12 E 0.11 Q 0.05 P 0.01 C Shift Assignments>> C :: 179.692 CA :: 59.338 CB :: 32.056 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 :: 8.604(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 :: 117.531(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.880 CA :: 66.447 CB :: 31.165 CG1 :: 22.804 CG2 :: 21.454 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 :: 8.529(D) HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 121.515(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.S146 1.I40 1.L130 1.S146 1.I40 1.L130 C Shift Assignments>> C :: 177.860 CA :: 63.131 CB :: 34.398 CD1 :: 10.307 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 :: 8.595(D) HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 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 :: 120.709(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 K 0.18 Q 0.15 E 0.15 R 0.12 H 0.12 L 0.02 M 0.01 HN Overlap>> 1.D232 1.T50 1.D232 1.T50 C Shift Assignments>> C :: 179.916 CA :: 59.098 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 :: 8.110(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 :: 118.807(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 I 0.18 Q 0.15 K 0.13 E 0.11 H 0.1 L 0.08 M 0.01 C Shift Assignments>> C :: 178.423 CA :: 58.642 CB :: 27.740 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 :: 8.234(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 :: 119.862(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.21 N 0.18 E 0.12 D 0.07 I 0.04 M 0.04 L 0.03 C Shift Assignments>> C :: 177.980 CA :: 55.980 CB :: 37.913 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 :: 8.261(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 :: 118.858(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.28 I 0.03 C Shift Assignments>> C :: 179.065 CA :: 55.127 CB :: 17.269 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.260(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.815(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.387 CA :: 61.489 CB :: 62.022 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.033(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 :: 113.004(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 179.429 CA :: 65.892 CB :: 31.203 CG1 :: 22.387 CG2 :: 20.687 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 :: 7.481(D) HG11 :: 1.060 HG12 :: 1.060 HG13 :: 1.060 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 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 :: 122.866(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 K 0.22 M 0.13 Q 0.13 R 0.09 H 0.07 E 0.05 P 0.01 HN Overlap>> 1.A70 1.A70 C Shift Assignments>> C :: 178.563 CA :: 59.483 CB :: 33.020 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 :: 7.687(D) 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 :: 120.039(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 Q 0.19 E 0.17 H 0.15 R 0.12 I 0.07 M 0.03 L 0.02 HN Overlap>> 1.F179 1.F179 C Shift Assignments>> C :: 177.419 CA :: 57.879 CB :: 28.800 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 :: 8.123(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 :: 115.522(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.618 CA :: 59.296 CB :: 63.493 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.736(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 :: 115.077(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.81 A 0.17 C Shift Assignments>> C :: 176.725 CA :: 54.960 CB :: 41.283 CD1 :: 25.792 CD2 :: 22.126 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 :: 7.040(D) HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.097(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.19 K 0.18 E 0.17 Q 0.14 H 0.12 R 0.11 M 0.02 V 0.02 L 0.01 C Shift Assignments>> C :: 178.018 CA :: 59.483 CB :: 28.943 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) 1.Y122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 Y 0.22 E 0.16 F 0.14 V 0.03 M 0.02 K 0.01 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> C :: 178.296 CA :: 60.439 CB :: 36.915 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 :: 8.184(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.221(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 A 0.04 K 0.02 C Shift Assignments>> C :: 178.962 CA :: 56.724 CB :: 40.835 CD1 :: 26.271 CD2 :: 22.504 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 :: 8.019(D) HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 120.764(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.19 R 0.16 E 0.15 H 0.13 K 0.13 M 0.09 Q 0.06 I 0.03 P 0.02 HN Overlap>> 1.E237 1.E237 C Shift Assignments>> C :: 179.315 CA :: 59.733 CB :: 31.355 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 :: 7.973(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 :: 119.645(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 Q 0.16 R 0.15 I 0.14 E 0.14 H 0.12 L 0.05 M 0.01 HN Overlap>> 1.T20 1.T20 C Shift Assignments>> C :: 178.875 CA :: 58.513 CB :: 28.201 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 :: 7.524(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 :: 118.914(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 H 0.17 Q 0.17 R 0.16 K 0.16 M 0.05 I 0.04 V 0.01 C Shift Assignments>> C :: 177.853 CA :: 57.829 CB :: 29.639 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 :: 7.831(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 :: 119.902(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.A127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 A 0.46 I 0.03 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> C :: 179.329 CA :: 55.001 CB :: 18.357 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.940(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.754(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 179.000 CA :: 65.827 CB :: 30.966 CG1 :: 22.187 CG2 :: 21.373 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 :: 7.266(D) HG11 :: 1.053 HG12 :: 1.053 HG13 :: 1.053 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 :: 118.264(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.29 D 0.13 L 0.11 I 0.06 N 0.03 K 0.02 C Shift Assignments>> C :: 177.630 CA :: 57.213 CB :: 39.980 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 :: 7.440(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 :: 121.318(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 L 0.14 D 0.11 K 0.09 I 0.06 N 0.01 HN Overlap>> 1.I108 1.S146 1.I40 1.Q51 1.I108 1.S146 1.I40 1.Q51 C Shift Assignments>> C :: 178.764 CA :: 57.547 CB :: 40.642 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 :: 8.499(D) 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 :: 120.717(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 K 0.16 E 0.14 Q 0.12 H 0.11 R 0.09 V 0.02 M 0.01 P 0.01 L 0.01 C Shift Assignments>> C :: 178.930 CA :: 59.903 CB :: 28.687 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 :: 7.919(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 :: 118.078(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.D132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 L 0.15 K 0.12 D 0.12 I 0.05 N 0.01 HN Overlap>> 1.Y246 1.Y246 1.D167 1.D167 C Shift Assignments>> C :: 179.113 CA :: 57.461 CB :: 40.820 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 :: 7.939(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 :: 122.037(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.352 CA :: 66.703 CB :: 31.198 CG1 :: 23.436 CG2 :: 20.563 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 :: 8.386(D) HG11 :: 1.024 HG12 :: 1.024 HG13 :: 1.024 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 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 :: 121.727(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 P 0.11 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 174.880 CA :: 47.783 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.971(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.206(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.25 N 0.12 D 0.08 E 0.07 I 0.06 L 0.04 M 0.02 C Shift Assignments>> C :: 177.132 CA :: 56.458 CB :: 38.281 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 :: 8.228(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 :: 119.313(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 K 0.16 H 0.15 Q 0.15 R 0.14 I 0.1 M 0.03 V 0.02 C Shift Assignments>> C :: 178.846 CA :: 59.051 CB :: 29.520 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 :: 7.853(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 :: 121.139(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.I137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.724 CA :: 65.639 CB :: 37.537 CD1 :: 14.332 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 :: 8.327(D) HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 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 :: 119.617(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.E96 1.E96 C Shift Assignments>> C :: 178.056 CA :: 66.019 CB :: 36.950 CD1 :: 13.547 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 :: 8.281(D) HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 120.007(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 K 0.1 R 0.09 E 0.09 Q 0.08 H 0.07 P 0.05 V 0.01 L 0.01 C Shift Assignments>> C :: 179.543 CA :: 60.502 CB :: 28.216 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 :: 8.674(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 :: 120.140(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 N 0.2 F 0.19 E 0.13 D 0.07 M 0.04 I 0.04 L 0.02 HN Overlap>> 1.E198 1.E198 C Shift Assignments>> C :: 178.428 CA :: 55.819 CB :: 37.808 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.923(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 :: 116.577(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 K 0.08 R 0.02 G 0.02 C Shift Assignments>> C :: 178.751 CA :: 57.560 CB :: 42.288 CD1 :: 25.861 CD2 :: 25.104 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 :: 8.704(D) HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 124.715(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.23 K 0.19 F 0.08 R 0.08 Y 0.06 N 0.03 HN Overlap>> 1.E224 1.E224 C Shift Assignments>> C :: 178.066 CA :: 54.904 CB :: 41.984 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 :: 8.178(D) 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 :: 117.368(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.750 CA :: 46.212 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.926(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.593(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.896 CA :: 61.014 CB :: 32.846 CG1 :: 20.856 CG2 :: 20.324 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 :: 7.753(D) HG11 :: 0.793 HG12 :: 0.793 HG13 :: 0.793 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 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 :: 118.651(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 Y 0.17 F 0.14 D 0.09 E 0.08 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 176.318 CA :: 54.733 CB :: 37.870 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 :: 8.255(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 :: 130.463(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.I108 1.I108 1.I40 1.L130 1.I40 1.L130 C Shift Assignments>> C :: 174.619 CA :: 57.918 CB :: 63.487 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.528(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 :: 120.708(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.024 CA :: 62.053 CB :: 32.403 CG1 :: 21.281 CG2 :: 20.494 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 :: 8.315(D) HG11 :: 1.080 HG12 :: 1.080 HG13 :: 1.080 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 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 :: 122.598(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.34 L 0.11 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.734 CA :: 52.166 CB :: 40.154 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 :: 8.642(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 :: 122.698(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 A 0.04 C Shift Assignments>> C :: 177.831 CA :: 55.376 CB :: 40.215 CD1 :: 25.423 CD2 :: 23.276 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 :: 8.666(D) HD11 :: 0.332 HD12 :: 0.332 HD13 :: 0.332 HD21 :: 0.366 HD22 :: 0.366 HD23 :: 0.366 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 :: 119.665(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.132 CA :: 59.868 CB :: 63.285 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.392(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 :: 115.661(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.21 L 0.19 F 0.08 Y 0.06 K 0.04 HN Overlap>> 1.L197 1.L197 C Shift Assignments>> C :: 175.615 CA :: 53.552 CB :: 40.721 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 :: 7.737(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 :: 120.881(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 A 0.35 G 0.03 C Shift Assignments>> C :: 177.161 CA :: 55.413 CB :: 42.383 CD1 :: 25.941 CD2 :: 21.105 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 :: 6.297(D) HD11 :: 0.477 HD12 :: 0.477 HD13 :: 0.477 HD21 :: -0.025 HD22 :: -0.025 HD23 :: -0.025 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 :: 118.315(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 H 0.2 M 0.17 E 0.14 Q 0.12 K 0.12 C Shift Assignments>> C :: 175.238 CA :: 55.608 CB :: 31.061 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 :: 120.405(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 H 0.18 R 0.18 K 0.17 Q 0.07 E 0.07 C Shift Assignments>> C :: 173.464 CA :: 53.936 CB :: 31.920 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 :: 7.595(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 :: 118.271(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 K 0.2 H 0.18 E 0.15 R 0.13 M 0.04 L 0.03 I 0.02 C Shift Assignments>> C :: 178.137 CA :: 56.098 CB :: 28.921 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 :: 8.307(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 :: 119.398(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 A 0.29 V 0.26 C Shift Assignments>> C :: 175.452 CA :: 58.926 CB :: 37.120 CG1 :: 22.191 CG2 :: 17.547 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 :: 8.734(D) HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.649 HG22 :: 0.649 HG23 :: 0.649 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 :: 115.940(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.310 CA :: 61.320 CB :: 32.081 CG1 :: 21.510 CG2 :: 21.019 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 :: 8.688(D) HG11 :: 0.368 HG12 :: 0.368 HG13 :: 0.368 HG21 :: 0.423 HG22 :: 0.423 HG23 :: 0.423 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 :: 121.358(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 173.326 CA :: 63.441 CB :: 31.927 CG1 :: 23.171 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 :: 8.184(D) HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 128.364(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.759 CA :: 57.425 CB :: 36.578 CD1 :: 11.261 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 :: 9.022(D) HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 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 :: 129.815(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 P 0.35 K 0.08 A 0.08 G 0.01 C Shift Assignments>> C :: 175.786 CA :: 49.907 CB :: 24.184 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.302(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.489(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 K 0.18 E 0.17 Q 0.14 H 0.13 R 0.11 M 0.02 V 0.02 C Shift Assignments>> C :: 175.488 CA :: 59.478 CB :: 28.965 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 :: 9.270(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 :: 123.152(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.D162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.23 R 0.18 G 0.13 K 0.04 N 0.03 F 0.03 Y 0.01 C Shift Assignments>> C :: 174.168 CA :: 52.117 CB :: 43.115 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 :: 7.348(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 :: 110.564(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 G 0.21 R 0.15 K 0.05 C Shift Assignments>> C :: 175.934 CA :: 53.521 CB :: 43.715 CD2 :: 25.194 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 :: 7.954(D) HD21 :: 0.080 HD22 :: 0.080 HD23 :: 0.080 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 :: 120.950(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.587 CA :: 59.286 CB :: 68.660 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 :: 9.384(D) 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 :: 116.211(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.608 CA :: 61.368 CB :: 62.609 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.D167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.2 F 0.16 Y 0.12 R 0.1 D 0.1 I 0.01 HN Overlap>> 1.Y246 1.D132 1.Y246 1.D132 C Shift Assignments>> C :: 178.276 CA :: 57.177 CB :: 41.970 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 :: 7.849(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 :: 122.062(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.286 CA :: 63.306 CB :: 68.195 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 :: 7.760(D) 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 :: 108.385(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.63 M 0.34 I 0.01 C Shift Assignments>> C :: 178.389 CA :: 54.418 CB :: 18.707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.709(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.544(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.725 CA :: 60.229 CB :: 68.987 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 :: 7.397(D) 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 :: 103.829(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 Q 0.27 K 0.22 H 0.07 R 0.07 E 0.02 V 0.01 C Shift Assignments>> C :: 174.687 CA :: 55.319 CB :: 33.636 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 :: 7.129(D) 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 :: 120.565(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.24 Q 0.21 R 0.2 E 0.16 M 0.1 K 0.05 C Shift Assignments>> C :: 175.951 CA :: 55.009 CB :: 29.965 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 :: 7.622(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 :: 125.409(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 R 0.15 K 0.14 E 0.13 H 0.12 M 0.1 Q 0.05 P 0.02 I 0.02 C Shift Assignments>> C :: 177.353 CA :: 59.827 CB :: 31.578 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 :: 8.022(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 :: 127.855(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 Q 0.15 I 0.15 K 0.13 E 0.11 H 0.1 L 0.08 M 0.01 C Shift Assignments>> C :: 177.048 CA :: 58.444 CB :: 27.778 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 :: 9.770(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 :: 118.569(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 K 0.18 H 0.14 R 0.14 Q 0.13 E 0.03 C Shift Assignments>> C :: 174.127 CA :: 53.364 CB :: 32.584 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 :: 7.585(D) 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 :: 115.320(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.467 CA :: 62.187 CB :: 31.366 CG1 :: 21.591 CG2 :: 20.407 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 :: 7.137(D) HG11 :: 0.426 HG12 :: 0.426 HG13 :: 0.426 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 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 :: 118.786(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 A 0.4 G 0.09 HN Overlap>> 1.L2 1.L2 C Shift Assignments>> C :: 177.230 CA :: 54.781 CB :: 43.026 CD1 :: 25.864 CD2 :: 21.150 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 :: 8.971(D) HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 124.919(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G178 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 182.053(S) CA :: 44.400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.009(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.909(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.31 D 0.12 K 0.07 F 0.06 G 0.04 Y 0.03 HN Overlap>> 1.E116 1.E116 C Shift Assignments>> C :: 174.048 CA :: 55.241 CB :: 43.269 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 :: 8.145(D) 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 :: 115.519(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.96 L 0.02 M 0.01 HN Overlap>> 1.V227 1.V227 C Shift Assignments>> C :: 176.352 CA :: 50.355 CB :: 20.672 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.753(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.084(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.087 CA :: 58.014 CB :: 71.302 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 :: 8.286(D) 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 :: 109.367(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 K 0.22 D 0.17 F 0.17 Y 0.13 R 0.03 N 0.02 I 0.01 HN Overlap>> 1.E247 1.E247 C Shift Assignments>> C :: 178.982 CA :: 56.442 CB :: 41.415 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 :: 7.828(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 :: 120.230(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 176.838 CA :: 59.752 CB :: 32.632 CG1 :: 21.142 CG2 :: 18.363 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 :: 8.030(D) HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 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 :: 113.277(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 L 0.29 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.839 CA :: 44.249 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.447(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.079(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.28 G 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.734 CA :: 44.016 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.798(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.082(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I186 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 173.736 CA :: 60.074 CB :: 67.948 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) 1.S188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.358 CA :: 57.794 CB :: 64.251 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.311(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 :: 117.585(D) Ave N Shift Values>> N :: 116.28(3.52) 1.NEP189 Overall Status: Residue type NEP not supported. 1.T190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.895 CA :: 66.720 CB :: 68.221 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 :: 8.475(D) 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 :: 116.427(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 M 0.42 I 0.03 V 0.01 C Shift Assignments>> C :: 178.594 CA :: 55.174 CB :: 18.871 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.505(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.205(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.L205 1.L205 C Shift Assignments>> C :: 179.773 CA :: 64.606 CB :: 37.557 CD1 :: 13.248 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 :: 8.068(D) HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.941(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.19 H 0.18 K 0.13 Q 0.11 M 0.11 V 0.04 I 0.01 C Shift Assignments>> C :: 178.532 CA :: 58.009 CB :: 31.037 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 :: 8.235(D) 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 :: 120.807(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.23 I 0.06 C Shift Assignments>> C :: 179.557 CA :: 55.645 CB :: 17.497 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.540(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.783(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 R 0.15 H 0.14 I 0.13 K 0.13 Q 0.12 V 0.06 M 0.03 C Shift Assignments>> C :: 180.954 CA :: 59.665 CB :: 29.809 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 :: 8.272(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 :: 117.082(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.S196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 175.772 CA :: 61.252 CB :: 62.727 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.960(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 :: 116.845(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.81 A 0.15 G 0.02 HN Overlap>> 1.D151 1.D151 C Shift Assignments>> C :: 175.536 CA :: 54.701 CB :: 42.281 CD1 :: 25.988 CD2 :: 22.326 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 :: 7.762(D) HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 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 :: 120.870(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.25 K 0.24 Q 0.09 I 0.05 H 0.05 E 0.02 HN Overlap>> 1.N140 1.N140 C Shift Assignments>> C :: 175.786 CA :: 57.002 CB :: 26.059 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 :: 7.823(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 :: 116.618(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.98 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 173.822 CA :: 57.655 CB :: 39.324 CD1 :: 13.746 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 :: 7.941(D) HD11 :: 0.422 HD12 :: 0.422 HD13 :: 0.422 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.974(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.51 P 0.31 K 0.04 R 0.03 H 0.02 E 0.02 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.987 CA :: 61.813 CB :: 32.254 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.A201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 L 0.07 C Shift Assignments>> C :: 175.849 CA :: 50.757 CB :: 21.239 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.253(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.695(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.K242 1.K242 1.E29 1.E29 C Shift Assignments>> C :: 173.829 CA :: 61.120 CB :: 33.598 CG1 :: 23.084 CG2 :: 21.239 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 :: 7.956(D) HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 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 :: 123.679(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 V 0.21 I 0.01 C Shift Assignments>> C :: 176.409 CA :: 57.356 CB :: 33.421 CG1 :: 19.628 CG2 :: 17.531 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 :: 8.307(D) HG11 :: 0.631 HG12 :: 0.631 HG13 :: 0.631 HG21 :: 0.433 HG22 :: 0.433 HG23 :: 0.433 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 :: 116.587(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 P 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 176.214 CA :: 47.778 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.863(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.149(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.58 L 0.34 R 0.05 G 0.01 HN Overlap>> 1.I192 1.I192 C Shift Assignments>> C :: 178.296 CA :: 56.645 CB :: 42.306 CD1 :: 27.639 CD2 :: 24.513 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 :: 8.141(D) HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 HD21 :: 0.536 HD22 :: 0.536 HD23 :: 0.536 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 :: 117.862(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.702 CA :: 46.946 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.189(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.499(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.75 D 0.06 Y 0.05 F 0.04 M 0.03 E 0.03 L 0.01 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 178.209 CA :: 52.158 CB :: 37.451 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 :: 8.085(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 :: 121.168(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.904 CA :: 65.195 CB :: 31.050 CG1 :: 22.489 CG2 :: 18.638 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 :: 7.739(D) HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 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 :: 124.158(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.844 CA :: 64.197 CB :: 68.903 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 :: 9.268(D) 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 :: 112.906(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.788 CA :: 58.745 CB :: 63.513 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.253(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 :: 113.707(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 Q 0.19 R 0.18 E 0.17 K 0.12 M 0.08 C Shift Assignments>> C :: 174.257 CA :: 55.906 CB :: 29.973 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 :: 7.491(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 :: 119.149(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.84 K 0.15 C Shift Assignments>> C :: 173.006 CA :: 60.596 CB :: 33.620 CG1 :: 22.916 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 :: 7.110(D) HG11 :: 0.738 HG12 :: 0.738 HG13 :: 0.738 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 :: 118.529(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 Q 0.25 K 0.18 H 0.08 R 0.07 E 0.01 C Shift Assignments>> C :: 175.906 CA :: 53.262 CB :: 33.566 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 :: 8.750(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 :: 125.603(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.41 C Shift Assignments>> C :: 179.135 CA :: 53.318 CB :: 17.287 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.445(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.212(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.353 CA :: 45.014 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.850(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.791(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.21 F 0.15 Y 0.12 N 0.1 K 0.08 C Shift Assignments>> C :: 175.204 CA :: 55.127 CB :: 40.721 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.043(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 :: 122.484(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.9 A 0.07 G 0.01 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 175.415 CA :: 54.500 CB :: 42.111 CD1 :: 25.609 CD2 :: 22.995 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 :: 8.070(D) HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 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 :: 123.457(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.97 A 0.02 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 173.904 CA :: 58.861 CB :: 35.266 CG1 :: 22.684 CG2 :: 21.017 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.064(D) HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 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 :: 122.850(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.D238 1.I13 1.D238 1.I13 1.E55 1.E55 C Shift Assignments>> C :: 175.498 CA :: 59.281 CB :: 40.036 CD1 :: 14.858 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.470(D) HD11 :: 0.467 HD12 :: 0.467 HD13 :: 0.467 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 :: 121.248(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 173.486 CA :: 61.078 CB :: 33.045 CG1 :: 21.851 CG2 :: 21.159 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 :: 9.191(D) HG11 :: 0.602 HG12 :: 0.602 HG13 :: 0.602 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 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 :: 126.467(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.36 L 0.12 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 177.065 CA :: 51.935 CB :: 40.398 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 :: 8.913(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 :: 126.208(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.464 CA :: 45.261 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.091(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.626(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.97 A 0.02 C Shift Assignments>> C :: 178.774 CA :: 56.448 CB :: 40.005 CD1 :: 24.516 CD2 :: 23.248 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 :: 8.837(D) HD11 :: 0.600 HD12 :: 0.600 HD13 :: 0.600 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 120.974(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.22 R 0.21 Q 0.16 E 0.15 M 0.13 K 0.09 HN Overlap>> 1.L142 1.L142 C Shift Assignments>> C :: 177.641 CA :: 55.431 CB :: 30.601 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 :: 8.134(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 :: 117.279(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 172.342 CA :: 46.751 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.171(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.209(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 G 0.19 C Shift Assignments>> C :: 174.168 CA :: 58.052 CB :: 42.508 CD1 :: 13.645 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 :: 7.849(D) HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.077(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.96 I 0.02 HN Overlap>> 1.A180 1.A180 C Shift Assignments>> C :: 174.348 CA :: 59.831 CB :: 35.001 CG1 :: 23.425 CG2 :: 20.219 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 :: 8.680(D) HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.589 HG22 :: 0.589 HG23 :: 0.589 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 :: 123.016(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.263 CA :: 60.071 CB :: 40.168 CD1 :: 14.031 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 :: 8.741(D) HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 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 :: 126.400(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.070 CA :: 61.333 CB :: 32.137 CG1 :: 21.512 CG2 :: 21.590 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 :: 8.675(D) HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 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 :: 128.313(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 E 0.19 Y 0.11 M 0.1 F 0.08 D 0.03 K 0.02 I 0.01 L 0.01 C Shift Assignments>> C :: 175.057 CA :: 54.222 CB :: 36.939 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 :: 9.692(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 :: 123.620(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 P 0.23 R 0.06 K 0.06 E 0.05 H 0.04 M 0.03 I 0.03 Q 0.01 C Shift Assignments>> C :: 176.168 CA :: 61.333 CB :: 31.720 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.D232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 N 0.29 L 0.17 F 0.06 Y 0.04 K 0.03 HN Overlap>> 1.T50 1.E109 1.T50 1.E109 C Shift Assignments>> C :: 175.872 CA :: 52.388 CB :: 40.772 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 :: 8.077(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 :: 118.786(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 K 0.16 E 0.15 Q 0.12 H 0.11 R 0.1 V 0.03 M 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 179.011 CA :: 59.961 CB :: 28.930 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 :: 8.587(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 :: 119.322(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 R 0.2 H 0.17 Q 0.11 K 0.11 M 0.09 V 0.06 I 0.02 C Shift Assignments>> C :: 178.666 CA :: 58.627 CB :: 30.800 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 :: 8.122(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 :: 120.577(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.814 CA :: 66.857 CB :: 67.361 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 :: 8.060(D) 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 :: 119.222(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.449 CA :: 67.903 CB :: 30.550 CG1 :: 23.726 CG2 :: 21.215 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 :: 8.190(D) HG11 :: 0.877 HG12 :: 0.877 HG13 :: 0.877 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 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 :: 121.888(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 K 0.17 E 0.14 Q 0.13 R 0.12 H 0.11 L 0.02 M 0.01 V 0.01 HN Overlap>> 1.K124 1.L77 1.K124 1.L77 C Shift Assignments>> C :: 179.754 CA :: 59.432 CB :: 28.384 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 :: 8.055(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 :: 119.688(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.29 D 0.13 L 0.12 I 0.06 N 0.03 K 0.02 HN Overlap>> 1.I13 1.I219 1.E55 1.I13 1.I219 1.E55 C Shift Assignments>> C :: 179.755 CA :: 57.150 CB :: 40.040 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 :: 8.402(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 :: 121.271(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 Y 0.07 F 0.05 V 0.04 C Shift Assignments>> C :: 178.613 CA :: 63.648 CB :: 37.354 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 :: 8.473(D) 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 :: 119.809(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 R 0.14 E 0.13 H 0.11 K 0.11 M 0.07 Q 0.05 P 0.05 I 0.04 C Shift Assignments>> C :: 179.652 CA :: 60.252 CB :: 31.300 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 :: 9.092(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 :: 123.444(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.386 CA :: 61.075 CB :: 62.008 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.797(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 :: 115.517(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.2 K 0.19 R 0.15 M 0.13 H 0.12 E 0.11 Q 0.05 P 0.01 HN Overlap>> 1.V202 1.E29 1.V202 1.E29 C Shift Assignments>> C :: 178.868 CA :: 59.428 CB :: 32.091 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 :: 7.873(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 :: 123.648(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 K 0.2 R 0.12 M 0.11 H 0.09 E 0.08 Q 0.07 P 0.02 C Shift Assignments>> C :: 177.773 CA :: 59.681 CB :: 32.490 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.527(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 :: 121.663(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 E 0.18 Q 0.17 H 0.15 R 0.12 I 0.1 M 0.02 L 0.01 V 0.01 HN Overlap>> 1.H76 1.H76 C Shift Assignments>> C :: 178.731 CA :: 58.465 CB :: 28.917 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 :: 7.992(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 :: 118.307(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.298 CA :: 60.188 CB :: 62.786 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.861(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 :: 113.524(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 I 0.3 F 0.26 E 0.06 M 0.01 HN Overlap>> 1.D132 1.D167 1.D132 1.D167 C Shift Assignments>> C :: 176.334 CA :: 59.359 CB :: 38.159 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 :: 7.843(D) 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 :: 122.063(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 H 0.19 E 0.18 K 0.17 R 0.16 M 0.06 I 0.01 HN Overlap>> 1.D182 1.D182 C Shift Assignments>> C :: 175.596 CA :: 56.444 CB :: 29.557 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 :: 7.823(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 :: 120.221(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 M 0.19 R 0.14 H 0.12 Q 0.12 E 0.09 V 0.06 C Shift Assignments>> C :: 181.451 CA :: 57.811 CB :: 32.518 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 :: 7.471(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 :: 126.671(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.PEP1 Overall Status: Residue type PEP not supported. ########################################################################### Overall Results: #Consistent: 14 #Clerical: 228 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 243 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 247 #Suspicious: 0 C Shift Results: #Consistent: 820 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 324 #Duplicate: 231 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 233 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L2 H = 8.974(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5237e-01 1.L2 N = 124.960(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2669e-01 1.K3 H = 8.343(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9872e-01 1.K3 N = 122.896(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2438e-01 1.G4 H = 8.524(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6535e-01 1.G4 N = 114.762(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.8825e-01 1.V5 H = 8.898(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6416e-01 1.V5 N = 125.557(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3060e-01 1.A6 H = 8.898(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4469e-01 1.A6 N = 131.813(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5326e-02 1.A7 H = 8.121(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9525e-01 1.A7 N = 128.628(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2729e-01 1.S8 H = 7.644(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8105e-01 1.S8 N = 112.624(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9897e-01 1.G10 H = 5.642(S), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5436e-05 1.G10 N = 102.839(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7544e-02 1.I11 H = 8.632(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0470e-01 1.I11 N = 119.412(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3229e-01 1.A12 H = 8.967(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0113e-01 1.A12 N = 129.067(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9174e-02 1.I13 H = 8.473(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7655e-01 1.I13 N = 121.336(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.7689e-01 1.G14 H = 8.620(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5549e-01 1.G14 N = 112.103(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2956e-01 1.K15 H = 8.774(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.3039e-01 1.K15 N = 120.763(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3932e-01 1.A16 H = 9.126(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2275e-01 1.A16 N = 124.217(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8039e-01 1.F17 H = 9.240(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.2162e-01 1.F17 N = 126.959(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1943e-01 1.L18 H = 7.749(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.5930e-01 1.L18 N = 130.896(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0508e-02 1.Y19 H = 9.095(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8840e-01 1.Y19 N = 129.159(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.9695e-02 1.T20 H = 7.606(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.0651e-01 1.T20 N = 118.932(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5968e-01 1.K21 H = 8.046(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1033e-01 1.K21 N = 123.087(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8898e-01 1.E22 H = 8.379(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3381e-01 1.E22 N = 123.950(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4592e-01 1.K23 H = 8.350(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8973e-01 1.K23 N = 123.947(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4223e-01 1.V24 H = 8.162(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4849e-01 1.V24 N = 122.801(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1447e-01 1.T25 H = 8.127(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5538e-01 1.T25 N = 121.744(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8307e-01 1.I26 H = 7.955(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.3269e-01 1.I26 N = 126.149(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7327e-01 1.N27 H = 9.319(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2019e-01 1.N27 N = 127.566(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.2119e-02 1.V28 H = 7.984(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.4787e-01 1.V28 N = 117.533(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2691e-01 1.E29 H = 7.900(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6612e-01 1.E29 N = 123.610(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9821e-01 1.K30 H = 8.288(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7026e-01 1.K30 N = 122.256(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4905e-01 1.I31 H = 8.085(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7429e-01 1.I31 N = 116.455(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4225e-01 1.E32 H = 7.859(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2469e-01 1.E32 N = 118.522(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3708e-01 1.E33 H = 9.040(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2883e-01 1.E33 N = 122.850(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3103e-01 1.S34 H = 8.121(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8755e-01 1.S34 N = 112.064(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3102e-01 1.K35 H = 7.995(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4518e-01 1.K35 N = 121.747(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.5332e-01 1.V36 H = 7.364(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6694e-01 1.V36 N = 122.460(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.7124e-01 1.E37 H = 8.539(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2316e-01 1.E37 N = 117.844(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1675e-01 1.E38 H = 7.994(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6902e-01 1.E38 N = 121.406(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3250e-01 1.E39 H = 8.187(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0849e-01 1.E39 N = 122.261(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4754e-01 1.I40 H = 8.569(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.7084e-01 1.I40 N = 120.698(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5869e-01 1.A41 H = 8.185(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8006e-01 1.A41 N = 122.649(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6963e-01 1.K42 H = 8.220(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6012e-01 1.K42 N = 120.191(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1976e-01 1.F43 H = 8.203(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.2739e-01 1.F43 N = 120.971(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.0081e-01 1.R44 H = 8.748(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0497e-01 1.R44 N = 119.084(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4100e-01 1.K45 H = 7.995(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4518e-01 1.K45 N = 120.325(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4750e-01 1.A46 H = 8.059(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1421e-01 1.A46 N = 121.602(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4560e-01 1.L47 H = 8.803(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7803e-01 1.L47 N = 123.698(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3744e-01 1.E48 H = 7.681(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7133e-01 1.E48 N = 121.133(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9416e-01 1.V49 H = 8.169(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5668e-01 1.V49 N = 119.436(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0741e-01 1.T50 H = 8.044(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.5190e-01 1.T50 N = 118.760(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.8196e-01 1.Q51 H = 8.512(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2066e-01 1.Q51 N = 120.823(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9551e-01 1.E52 H = 7.895(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6095e-01 1.E52 N = 119.311(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9615e-01 1.E53 H = 8.363(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5540e-01 1.E53 N = 120.266(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0758e-01 1.E55 H = 8.393(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1496e-01 1.E55 N = 121.264(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6447e-01 1.K56 H = 7.885(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1122e-01 1.K56 N = 119.279(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3853e-01 1.I57 H = 7.919(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.9550e-01 1.I57 N = 122.688(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7418e-01 1.K58 H = 8.532(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6868e-01 1.K58 N = 122.505(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9954e-01 1.E59 H = 8.007(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8406e-01 1.E59 N = 118.655(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6257e-01 1.K60 H = 7.712(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2564e-01 1.K60 N = 121.091(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.9132e-01 1.A61 H = 8.578(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2869e-01 1.A61 N = 122.011(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3058e-01 1.L62 H = 8.472(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0966e-01 1.L62 N = 120.089(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4975e-01 1.K63 H = 7.563(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9602e-01 1.K63 N = 117.897(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0296e-01 1.E64 H = 8.174(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9147e-01 1.E64 N = 116.769(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6230e-01 1.F65 H = 8.525(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.1874e-01 1.F65 N = 115.400(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.2700e-01 1.G66 H = 8.100(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2345e-01 1.G66 N = 110.071(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1747e-01 1.K67 H = 8.471(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.3955e-01 1.K67 N = 119.664(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.1314e-01 1.E68 H = 8.871(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5917e-01 1.E68 N = 118.660(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6354e-01 1.K69 H = 7.604(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2873e-01 1.K69 N = 117.891(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0207e-01 1.A70 H = 7.695(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9997e-01 1.A70 N = 119.975(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5784e-01 1.E71 H = 7.874(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3959e-01 1.E71 N = 116.918(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8096e-01 1.I72 H = 7.281(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.4180e-01 1.I72 N = 119.925(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1986e-01 1.F73 H = 6.791(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.9319e-02 1.F73 N = 116.776(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.7943e-01 1.A75 H = 7.601(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1812e-01 1.A75 N = 121.864(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9959e-01 1.H76 H = 7.942(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.6122e-01 1.H76 N = 118.256(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.1997e-01 1.L77 H = 8.124(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7046e-01 1.L77 N = 119.694(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7863e-01 1.M78 H = 8.009(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.7570e-01 1.M78 N = 120.127(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.9173e-01 1.L79 H = 7.992(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1425e-01 1.L79 N = 121.160(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5756e-01 1.A80 H = 7.974(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0642e-01 1.A80 N = 116.384(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3126e-02 1.S81 H = 7.234(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6248e-02 1.S81 N = 108.034(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9149e-02 1.D82 H = 7.088(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.5127e-02 1.D82 N = 125.564(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0300e-01 1.E84 H = 8.453(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3486e-01 1.E84 N = 117.612(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7954e-01 1.L85 H = 7.604(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3551e-01 1.L85 N = 124.293(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3273e-01 1.I86 H = 7.522(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.6498e-01 1.I86 N = 118.645(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.1072e-01 1.E87 H = 8.310(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E87 N = 117.764(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0369e-01 1.G88 H = 7.798(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1309e-01 1.G88 N = 106.756(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5147e-01 1.V89 H = 8.165(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5200e-01 1.V89 HG21 = -0.340(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6726e-05 1.V89 HG22 = -0.340(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6726e-05 1.V89 HG23 = -0.340(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6726e-05 1.V89 N = 123.433(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1351e-01 1.E90 H = 8.189(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1112e-01 1.E90 N = 118.298(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9549e-01 1.N91 H = 8.672(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.9820e-01 1.N91 N = 115.217(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.5687e-01 1.M92 H = 7.799(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.4229e-01 1.M92 N = 123.064(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.0481e-01 1.I93 H = 7.989(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.6869e-01 1.I93 N = 120.321(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9015e-01 1.K94 H = 7.538(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7718e-01 1.K94 N = 113.313(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0145e-02 1.T95 H = 8.228(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8456e-01 1.T95 N = 109.476(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1080e-01 1.E96 H = 8.315(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7972e-01 1.E96 N = 120.060(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6085e-01 1.L97 CB = 36.061(S), Expected = 42.31, Std = 1.8800, ChiSquare = 8.8757e-04 1.L97 H = 7.607(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3783e-01 1.L97 N = 117.895(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0931e-01 1.V98 H = 6.408(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9703e-03 1.V98 N = 107.822(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3519e-03 1.T99 H = 8.711(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.4745e-01 1.T99 N = 106.907(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.3099e-02 1.A100 H = 10.574(S), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6003e-05 1.A100 N = 122.208(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7281e-01 1.D101 H = 9.190(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.2921e-01 1.D101 N = 112.018(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.5334e-02 1.N102 H = 7.082(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.5844e-02 1.N102 N = 119.756(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3760e-01 1.A103 H = 8.557(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5184e-01 1.A103 N = 120.032(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.6632e-01 1.V104 H = 8.536(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.1350e-01 1.V104 N = 115.944(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.5242e-01 1.N105 H = 7.606(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.4399e-01 1.N105 N = 116.559(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5631e-01 1.K106 H = 8.604(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9019e-01 1.K106 N = 117.531(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.5060e-01 1.V107 H = 8.529(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2130e-01 1.V107 N = 121.515(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3417e-01 1.I108 H = 8.595(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4320e-01 1.I108 N = 120.709(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6071e-01 1.E109 H = 8.110(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.0924e-01 1.E109 N = 118.807(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.9241e-01 1.Q110 H = 8.234(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8107e-01 1.Q110 N = 119.862(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9379e-01 1.N111 H = 8.261(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.0021e-01 1.N111 N = 118.858(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8575e-01 1.A112 H = 9.260(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7284e-02 1.A112 N = 123.815(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6874e-01 1.S113 H = 8.033(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7548e-01 1.S113 N = 113.004(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.5202e-01 1.V114 H = 7.481(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2725e-01 1.V114 N = 122.866(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0381e-01 1.M115 H = 7.687(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.3958e-01 1.M115 N = 120.039(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.8860e-01 1.E116 H = 8.123(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2570e-01 1.E116 N = 115.522(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3906e-01 1.S117 H = 7.736(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5651e-01 1.S117 N = 115.077(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3253e-01 1.L118 H = 7.040(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7135e-02 1.L118 N = 122.097(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5154e-01 1.Y122 H = 8.184(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.5221e-01 1.Y122 N = 120.221(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.4325e-01 1.L123 H = 8.019(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4547e-01 1.L123 N = 120.764(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7869e-01 1.K124 H = 7.973(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1760e-01 1.K124 N = 119.645(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0939e-01 1.E125 H = 7.524(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7191e-01 1.E125 N = 118.914(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1384e-01 1.R126 H = 7.831(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0254e-01 1.R126 N = 119.902(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0721e-01 1.A127 H = 7.940(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6477e-01 1.A127 N = 122.754(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9304e-01 1.V128 H = 7.266(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2642e-01 1.V128 N = 118.264(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.2642e-01 1.D129 H = 7.440(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3361e-01 1.D129 N = 121.318(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6261e-01 1.L130 H = 8.499(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7899e-01 1.L130 N = 120.717(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6946e-01 1.R131 H = 7.919(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9873e-01 1.R131 N = 118.078(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5950e-01 1.D132 H = 7.939(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2240e-01 1.D132 N = 122.037(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1935e-01 1.V133 H = 8.386(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8607e-01 1.V133 N = 121.727(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9712e-01 1.G134 H = 8.971(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2406e-01 1.G134 N = 107.206(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2433e-01 1.N135 H = 8.228(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.5890e-01 1.N135 N = 119.313(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.2429e-01 1.R136 H = 7.853(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.2580e-01 1.R136 N = 121.139(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2660e-01 1.I137 H = 8.327(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4490e-01 1.I137 N = 119.617(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6675e-01 1.I138 H = 8.281(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.9883e-01 1.I138 N = 120.007(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3424e-01 1.E139 H = 8.674(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5986e-01 1.E139 N = 120.140(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7895e-01 1.N140 H = 7.923(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.0803e-01 1.N140 N = 116.577(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5931e-01 1.L141 H = 8.704(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6586e-01 1.L141 N = 124.715(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6414e-01 1.L142 H = 8.178(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3624e-01 1.L142 N = 117.368(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4941e-01 1.G143 H = 7.926(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3425e-01 1.G143 N = 109.593(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8413e-01 1.V144 H = 7.753(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2285e-01 1.V144 N = 118.651(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8353e-01 1.K145 H = 8.255(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1373e-01 1.K145 N = 130.463(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2531e-02 1.S146 H = 8.528(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7424e-01 1.S146 N = 120.708(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.0841e-01 1.V147 H = 8.315(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.7024e-01 1.V147 N = 122.598(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4810e-01 1.N148 H = 8.642(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.3168e-01 1.N148 N = 122.698(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.4979e-01 1.L149 H = 8.666(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.0237e-01 1.L149 N = 119.665(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7356e-01 1.S150 H = 8.392(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4944e-01 1.S150 N = 115.661(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6041e-01 1.D151 H = 7.737(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2319e-01 1.D151 N = 120.881(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.5228e-01 1.L152 H = 6.297(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9409e-03 1.L152 N = 118.315(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6336e-01 1.E153 H = 8.680(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5303e-01 1.E153 N = 120.405(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3930e-01 1.E154 H = 7.595(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1285e-01 1.E154 N = 118.271(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9059e-01 1.E155 H = 8.307(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6890e-01 1.E155 N = 119.398(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1473e-01 1.V156 H = 8.734(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0753e-01 1.V156 N = 115.940(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.5205e-01 1.V157 H = 8.688(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5249e-01 1.V157 N = 121.358(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6170e-01 1.V158 H = 8.184(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7429e-01 1.V158 N = 128.364(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1157e-01 1.I159 H = 9.022(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7520e-01 1.I159 N = 129.815(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0926e-02 1.A160 H = 8.302(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6501e-01 1.A160 N = 126.489(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5725e-01 1.R161 H = 9.270(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1311e-02 1.R161 N = 123.152(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.2274e-01 1.D162 H = 7.348(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7192e-02 1.D162 N = 110.564(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9764e-03 1.L163 H = 7.954(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7112e-01 1.L163 N = 120.950(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1550e-01 1.T164 H = 9.384(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5014e-02 1.T164 N = 116.211(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6774e-01 1.D167 H = 7.849(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.2671e-01 1.D167 N = 122.062(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1451e-01 1.T168 H = 7.760(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3882e-01 1.T168 N = 108.385(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3859e-01 1.A169 H = 7.709(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1317e-01 1.A169 N = 123.544(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2932e-01 1.T170 H = 7.397(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.7393e-01 1.T170 N = 103.829(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.4679e-02 1.M171 H = 7.129(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.9430e-02 1.M171 N = 120.565(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.9415e-01 1.K172 H = 7.622(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.4381e-01 1.K172 N = 125.409(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.4759e-01 1.K173 H = 8.022(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7948e-01 1.K173 N = 127.855(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.1069e-02 1.E174 H = 9.770(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4660e-02 1.E174 N = 118.569(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4602e-01 1.M175 H = 7.585(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.6059e-01 1.M175 N = 115.320(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.8151e-01 1.V176 H = 7.137(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5270e-02 1.V176 N = 118.786(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0411e-01 1.L177 H = 8.971(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5429e-01 1.L177 N = 124.919(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3283e-01 1.G178 C = 182.053(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.3450e-05 1.G178 H = 7.009(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2123e-02 1.G178 N = 99.909(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1662e-02 1.F179 H = 8.145(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.6524e-01 1.F179 N = 115.519(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.3813e-01 1.A180 H = 8.753(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5670e-01 1.A180 N = 123.084(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6710e-01 1.T181 H = 8.286(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4086e-01 1.T181 N = 109.367(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.0255e-01 1.D182 H = 7.828(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.0595e-01 1.D182 N = 120.230(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1335e-01 1.V183 H = 8.030(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9797e-01 1.V183 N = 113.277(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3285e-02 1.G184 H = 8.447(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5715e-01 1.G184 N = 112.079(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3363e-01 1.G185 H = 7.798(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1309e-01 1.G185 N = 105.082(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3581e-01 1.S188 H = 7.311(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0051e-01 1.S188 N = 117.585(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.1083e-01 1.T190 H = 8.475(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.0466e-01 1.T190 N = 116.427(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.3211e-01 1.A191 H = 7.505(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4673e-01 1.A191 N = 124.205(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8299e-01 1.I192 H = 8.068(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.5522e-01 1.I192 N = 117.941(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1097e-01 1.M193 H = 8.235(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.6676e-01 1.M193 N = 120.807(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.4082e-01 1.A194 H = 8.540(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7094e-01 1.A194 N = 122.783(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9952e-01 1.R195 H = 8.272(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.5816e-01 1.R195 N = 117.082(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1234e-01 1.S196 H = 7.960(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.8756e-01 1.S196 N = 116.845(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7248e-01 1.L197 H = 7.762(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7153e-01 1.L197 N = 120.870(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.9961e-01 1.E198 H = 7.823(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.9016e-01 1.E198 N = 116.618(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4427e-01 1.I199 H = 7.941(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.1811e-01 1.I199 N = 116.974(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9458e-01 1.A201 H = 8.253(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2961e-01 1.A201 N = 118.695(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0017e-01 1.V202 H = 7.956(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.1813e-01 1.V202 N = 123.679(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7599e-01 1.V203 H = 8.307(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.7976e-01 1.V203 N = 116.587(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1593e-01 1.G204 H = 6.863(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4013e-02 1.G204 N = 106.149(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6292e-01 1.L205 H = 8.141(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9109e-01 1.L205 N = 117.862(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0530e-01 1.G206 H = 10.189(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2364e-03 1.G206 N = 113.499(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2246e-01 1.N207 H = 8.085(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.8565e-01 1.N207 N = 121.168(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.7867e-01 1.V208 H = 7.739(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.1086e-01 1.V208 N = 124.158(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0621e-01 1.T209 H = 9.268(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7304e-02 1.T209 N = 112.906(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9662e-01 1.S210 H = 7.253(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.1740e-02 1.S210 N = 113.707(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.6480e-01 1.Q211 H = 7.491(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1661e-01 1.Q211 N = 119.149(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.3692e-01 1.V212 H = 7.110(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8206e-02 1.V212 N = 118.529(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6522e-01 1.K213 H = 8.750(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5065e-01 1.K213 N = 125.603(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2717e-01 1.A214 H = 8.445(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8303e-01 1.A214 N = 123.212(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9594e-01 1.G215 H = 8.850(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2371e-01 1.G215 N = 111.791(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8365e-01 1.D216 H = 8.043(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.4527e-01 1.D216 N = 122.484(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3469e-01 1.L217 H = 8.070(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0556e-01 1.L217 N = 123.457(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8218e-01 1.V218 H = 9.064(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4800e-01 1.V218 N = 122.850(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0643e-01 1.I219 H = 8.470(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7993e-01 1.I219 N = 121.248(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.6049e-01 1.V220 H = 9.191(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7870e-01 1.V220 N = 126.467(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.4066e-01 1.D221 H = 8.913(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.9850e-01 1.D221 N = 126.208(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.4990e-01 1.G222 H = 9.091(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4169e-01 1.G222 N = 112.626(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4497e-01 1.L223 H = 8.837(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.5038e-01 1.L223 N = 120.974(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2028e-01 1.E224 H = 8.134(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3974e-01 1.E224 N = 117.279(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2985e-01 1.G225 H = 8.171(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0675e-01 1.G225 N = 109.209(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0518e-01 1.I226 H = 7.849(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2620e-01 1.I226 N = 116.077(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0850e-01 1.V227 H = 8.680(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6051e-01 1.V227 N = 123.016(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7945e-01 1.I228 H = 8.741(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9781e-01 1.I228 N = 126.400(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4842e-01 1.V229 H = 8.675(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6554e-01 1.V229 N = 128.313(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1412e-01 1.N230 H = 9.692(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.1870e-02 1.N230 N = 123.620(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.4452e-01 1.D232 H = 8.077(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8789e-01 1.D232 N = 118.786(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2917e-01 1.E233 H = 8.587(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6313e-01 1.E233 N = 119.322(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9849e-01 1.K234 H = 8.122(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0977e-01 1.K234 N = 120.577(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0016e-01 1.T235 H = 8.060(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7157e-01 1.T235 N = 119.222(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.2347e-01 1.V236 H = 8.190(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8135e-01 1.V236 N = 121.888(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6913e-01 1.E237 H = 8.055(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4114e-01 1.E237 N = 119.688(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7780e-01 1.D238 H = 8.402(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7397e-01 1.D238 N = 121.271(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7219e-01 1.Y239 H = 8.473(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.3399e-01 1.Y239 N = 119.809(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6557e-01 1.K240 H = 9.092(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3275e-01 1.K240 N = 123.444(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2542e-01 1.S241 H = 7.797(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.1299e-01 1.S241 N = 115.517(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2839e-01 1.K242 H = 7.873(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9727e-01 1.K242 N = 123.648(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9074e-01 1.K243 H = 8.527(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7434e-01 1.K243 N = 121.663(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7083e-01 1.E244 H = 7.992(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6672e-01 1.E244 N = 118.307(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9712e-01 1.S245 H = 7.861(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7760e-01 1.S245 N = 113.524(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3365e-01 1.Y246 H = 7.843(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.1348e-01 1.Y246 N = 122.063(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.1333e-01 1.E247 H = 7.823(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.9016e-01 1.E247 N = 120.221(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9734e-01 1.K248 H = 7.471(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3079e-01 1.K248 N = 126.671(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.3597e-01