Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.498 CA :: 62.11 CB :: 68.564 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 :: 7.953 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.21 Ave N Shift Values>> N :: 115.42(4.75) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.17 C 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 174.377 CA :: 51.987 CB :: 41.047 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 :: 8.65 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 :: 130.255 Ave N Shift Values>> N :: 121.86(3.9) 1.P10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.02 C 0.01 HN Overlap>> 1.A323 1.A38 1.A323 1.A38 C Shift Assignments>> C :: 180.981 CA :: 54.613 CB :: 17.628 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.919 Ave N Shift Values>> N :: 123.23(3.54) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.072 CB :: 62.51 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.128 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 :: 110.682 Ave N Shift Values>> N :: 116.28(3.52) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.28 Y 0.09 F 0.06 V 0.05 E 0.04 HN Overlap>> 1.G107 1.G107 C Shift Assignments>> C :: 175.445 CA :: 62.128 CB :: 36.747 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 :: 6.841 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 :: 113.06 Ave N Shift Values>> N :: 121.46(4.28) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 E 0.21 Y 0.19 F 0.12 I 0.11 M 0.03 K 0.01 C Shift Assignments>> C :: 174.184 CA :: 58.311 CB :: 37.096 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.546 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.22 Ave N Shift Values>> N :: 120.45(4.18) 1.R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.15 R 0.13 C 0.12 W 0.12 K 0.1 E 0.09 M 0.06 C Shift Assignments>> C :: 175.82(D) CA :: 54.31 CB :: 29.697 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 :: 7.855(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 :: 124.622(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.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.25 I 0.06 C 0.02 C Shift Assignments>> C :: 178.378(D) CA :: 55.683(D) CB :: 17.772 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.765(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.808(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.18 F 0.16 D 0.15 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 175.376 CA :: 55.21 CB :: 38.819 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 :: 8.319 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 :: 110.552 Ave N Shift Values>> N :: 120.52(4.2) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.19 K 0.06 C 0.05 F 0.05 Y 0.03 R 0.01 HN Overlap>> 1.D456 1.D456 C Shift Assignments>> C :: 173.033 CA :: 52.378 CB :: 41.264 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 :: 7.712 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.602 Ave N Shift Values>> N :: 120.65(3.86) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.15 C 0.13 L 0.04 K 0.03 D 0.02 C Shift Assignments>> C :: 176.068 CA :: 59.207 CB :: 40.384 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 :: 7.926 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 :: 116.714 Ave N Shift Values>> N :: 121.46(4.28) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 Q 0.18 K 0.18 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 174.425 CA :: 55.37(D) CB :: 33.248(D) 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 :: 9.02(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 :: 127.864(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.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.584 CA :: 44.712 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.582 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.271 Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 C 0.23 P 0.2 W 0.06 K 0.03 R 0.03 H 0.02 E 0.02 M 0.01 I 0.01 HN Overlap>> 1.A454 1.A454 C Shift Assignments>> C :: 177.43 CA :: 61.631 CB :: 32.058 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 :: 7.324 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.035 Ave N Shift Values>> N :: 121.14(4.54) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 C 0.22 V 0.18 P 0.14 W 0.06 C Shift Assignments>> C :: 177.61(D) CA :: 63.57(D) CB :: 29.63(D) 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 :: 9.229(D) 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 :: 134.05(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.N450 1.S369 1.N450 1.S369 C Shift Assignments>> C :: 172.625 CA :: 44.566 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.356 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.595 Ave N Shift Values>> N :: 109.67(3.87) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 N 0.08 F 0.08 Y 0.05 C 0.05 R 0.03 HN Overlap>> 1.E434 1.E434 C Shift Assignments>> C :: 174.634 CA :: 54.135 CB :: 41.497 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 :: 7.774 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 :: 120.767 Ave N Shift Values>> N :: 120.65(3.86) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.494(D) CA :: 60.691(D) CB :: 69.545(D) 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 :: 7.413(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 :: 106.661(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.23 D 0.14 G 0.13 C 0.04 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.03(D) CA :: 53.608(D) CB :: 43.591(D) 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 :: 7.581(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 :: 123.498(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.725(D) CA :: 58.654(D) CB :: 72.262(D) 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 :: 8.077(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 :: 116.203(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.21 I 0.05 C 0.02 HN Overlap>> 1.Y203 1.E382 1.Y203 1.E382 C Shift Assignments>> C :: 178.802 CA :: 55.534 CB :: 17.231 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.959 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2 Ave N Shift Values>> N :: 123.23(3.54) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.13 E 0.12 Q 0.1 I 0.1 H 0.09 R 0.07 M 0.01 V 0.01 C Shift Assignments>> C :: 178.484 CA :: 59.084 CB :: 28.923 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 :: 8.108 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 :: 117.491 Ave N Shift Values>> N :: 120.67(3.48) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L195 1.F267 1.L195 1.F267 1.E442 1.E442 C Shift Assignments>> C :: 176.232 CA :: 66.799 CB :: 67.84 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 :: 7.732 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.298 Ave N Shift Values>> N :: 115.42(4.75) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 177.944 CA :: 55.222 CB :: 18.124 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.928 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.526 Ave N Shift Values>> N :: 123.23(3.54) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.29 Y 0.12 E 0.09 F 0.07 V 0.04 M 0.01 C Shift Assignments>> C :: 177.394 CA :: 61.049 CB :: 36.692 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 :: 7.554 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 :: 119.04 Ave N Shift Values>> N :: 120.52(4.2) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 I 0.18 W 0.15 K 0.1 E 0.09 Q 0.07 H 0.07 R 0.06 V 0.01 M 0.01 C Shift Assignments>> C :: 178.751 CA :: 59.879 CB :: 28.678 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.645 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.757 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 C 0.26 I 0.23 P 0.01 Y 0.01 C Shift Assignments>> C :: 178.121 CA :: 64.459 CB :: 35.283 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 :: 8.548 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 :: 121.45 Ave N Shift Values>> N :: 121.46(4.28) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 P 0.2 C 0.1 A 0.09 N 0.03 L 0.02 D 0.01 HN Overlap>> 1.G245 1.G245 C Shift Assignments>> C :: 174.8 CA :: 47.996 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.156 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.072 Ave N Shift Values>> N :: 109.67(3.87) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 Q 0.16 C 0.15 H 0.1 W 0.09 K 0.08 E 0.06 R 0.04 I 0.02 M 0.01 C Shift Assignments>> CA :: 55.822 CB :: 27.323 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 :: 8.012 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 :: 121.286 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.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.05 C 0.02 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 178.605 CA :: 55.441 CB :: 17.853 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.548 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.005 Ave N Shift Values>> N :: 123.23(3.54) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.15 Y 0.02 F 0.02 V 0.02 HN Overlap>> 1.Q190 1.V272 1.Q190 1.V272 C Shift Assignments>> C :: 178.029 CA :: 65.293 CB :: 37.851 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 :: 8.794 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 :: 119.07 Ave N Shift Values>> N :: 121.46(4.28) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.67 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 C Shift Assignments>> C :: 175.132 CA :: 48.881 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.765 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.808 Ave N Shift Values>> N :: 109.67(3.87) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 T 0.23 I 0.19 P 0.15 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 175.205 CA :: 62.536 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.686 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 :: 117.937 Ave N Shift Values>> N :: 116.28(3.52) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 K 0.13 Q 0.13 W 0.12 R 0.11 E 0.1 H 0.09 I 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 177.047 CA :: 57.956 CB :: 28.267 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 :: 8.048 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 :: 125.998 Ave N Shift Values>> N :: 120.67(3.48) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.779 CA :: 62.727 CB :: 63.345 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.597 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 :: 113.655 Ave N Shift Values>> N :: 116.28(3.52) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.08 K 0.07 I 0.06 N 0.01 HN Overlap>> 1.V147 1.I388 1.L452 1.V147 1.I388 1.L452 C Shift Assignments>> C :: 181.396 CA :: 57.779 CB :: 40.583 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 :: 8.37 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 :: 120.796 Ave N Shift Values>> N :: 121.86(3.9) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.36 I 0.02 C 0.01 C Shift Assignments>> C :: 179.308 CA :: 54.433 CB :: 17.062 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.852 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.104 Ave N Shift Values>> N :: 123.23(3.54) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.15 K 0.14 C 0.12 W 0.11 R 0.11 E 0.09 M 0.04 L 0.03 HN Overlap>> 1.C75 1.C75 C Shift Assignments>> C :: 176.085 CA :: 54.578 CB :: 29.014 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 :: 7.309 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.525 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.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.388 CA :: 45.388 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.842 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.734 Ave N Shift Values>> N :: 109.67(3.87) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.34 C 0.15 H 0.12 R 0.09 M 0.08 W 0.07 Q 0.06 E 0.02 K 0.02 HN Overlap>> 1.V251 1.V251 C Shift Assignments>> C :: 173.285 CA :: 51.447 CB :: 30.42 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 :: 8.329 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 Ave N Shift Values>> N :: 120.67(3.48) 1.P49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.16 I 0.13 W 0.11 Q 0.1 K 0.08 E 0.07 H 0.07 L 0.06 C Shift Assignments>> C :: 173.146 CA :: 58.661 CB :: 27.679 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.893 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.551 Ave N Shift Values>> N :: 120.17(4.64) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.22 I 0.07 M 0.07 Y 0.07 K 0.06 V 0.05 Q 0.04 F 0.03 C Shift Assignments>> C :: 174.544 CA :: 59.228 CB :: 35.519 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 :: 7.706 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 :: 121.621 Ave N Shift Values>> N :: 121.14(4.54) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.03 C 0.01 C Shift Assignments>> C :: 176.387 CA :: 50.164 CB :: 19.278 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.188 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.924 Ave N Shift Values>> N :: 123.23(3.54) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 V 0.14 E 0.12 I 0.12 Y 0.05 K 0.05 M 0.04 Q 0.03 F 0.02 C Shift Assignments>> C :: 173.394 CA :: 60.525 CB :: 35.325 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 :: 8.748 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 :: 121.3 Ave N Shift Values>> N :: 121.14(4.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.06 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 170.814 CA :: 43.302 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.202 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.414 Ave N Shift Values>> N :: 109.67(3.87) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.18 Q 0.16 K 0.14 H 0.08 R 0.07 W 0.04 E 0.01 HN Overlap>> 1.T373 1.T373 C Shift Assignments>> C :: 173.359 CA :: 53.412 CB :: 33.18 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 :: 8.165 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 :: 114.441 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.D56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.26 C 0.07 L 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.597(D) CA :: 51.126(D) CB :: 39.854(D) 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 :: 7.634(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 :: 118.373(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.932 CA :: 45.682 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.107 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.276 Ave N Shift Values>> N :: 109.67(3.87) 1.R58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 C 0.12 R 0.12 K 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 179.377(D) CA :: 57.208(D) CB :: 29.667 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 :: 7.439(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.866(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.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 178.493(D) CA :: 57.201(D) CB :: 40.585(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.649(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 :: 123.905(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.597 CA :: 57.248(D) CB :: 63.865(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.064(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 :: 108.137(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 G 0.3 A 0.13 C 0.08 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 172.691 CA :: 48.258 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.454 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.228 Ave N Shift Values>> N :: 109.67(3.87) 1.P62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.14 E 0.13 K 0.13 Q 0.12 H 0.11 R 0.09 I 0.05 M 0.02 HN Overlap>> 1.K453 1.K453 1.G148 1.G148 C Shift Assignments>> C :: 179.178 CA :: 58.386 CB :: 29.211 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 :: 7.806 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 :: 116.54 Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 K 0.19 Y 0.17 L 0.15 D 0.09 C 0.09 I 0.03 R 0.02 C Shift Assignments>> C :: 179.75(D) CA :: 57.592(D) CB :: 41.282 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 :: 7.864(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 :: 117.714(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 V 0.19 C 0.19 P 0.11 W 0.02 C Shift Assignments>> C :: 176.483 CA :: 65.017 CB :: 29.374 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 :: 9.206 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 :: 121.986 Ave N Shift Values>> N :: 121.14(4.54) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.13 K 0.12 R 0.11 H 0.09 E 0.09 M 0.09 V 0.08 Q 0.04 C Shift Assignments>> C :: 179.566 CA :: 58.861 CB :: 31.738 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 :: 6.848 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 :: 121.724 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.15 W 0.13 H 0.12 E 0.12 C 0.12 R 0.09 M 0.02 I 0.02 L 0.02 C Shift Assignments>> C :: 177.597 CA :: 56.864 CB :: 28.832 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 :: 6.755 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.334 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 T 0.21 S 0.16 I 0.14 P 0.08 C 0.03 C Shift Assignments>> C :: 177.167 CA :: 66.378 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 :: 8.508 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 :: 118.016 Ave N Shift Values>> N :: 121.46(4.28) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 C 0.15 Q 0.12 W 0.1 L 0.09 I 0.08 K 0.08 H 0.07 E 0.07 C Shift Assignments>> C :: 177.713 CA :: 57.991 CB :: 27.587 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 :: 7.821 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 :: 120.333 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.739 CA :: 46.928 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.519 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.304 Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.16 L 0.15 R 0.14 Y 0.12 C 0.07 D 0.05 I 0.02 C Shift Assignments>> C :: 180.7 CA :: 57.997 CB :: 42.205 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 :: 7.473 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 :: 121.977 Ave N Shift Values>> N :: 121.86(3.9) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 P 0.18 C 0.12 I 0.09 C Shift Assignments>> C :: 180.257 CA :: 66.654 CB :: 30.789 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 :: 8.965 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 :: 124.696 Ave N Shift Values>> N :: 121.14(4.54) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.19 N 0.18 D 0.16 C 0.13 L 0.07 I 0.02 C Shift Assignments>> C :: 177.699 CA :: 55.565 CB :: 39.109 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 :: 8.682 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 :: 122.267 Ave N Shift Values>> N :: 120.65(3.86) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 I 0.1 F 0.1 W 0.08 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 174.163 CA :: 59.812 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.316 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.477 Ave N Shift Values>> N :: 120.17(4.64) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.28 D 0.07 K 0.06 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 174.317 CA :: 43.077 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.057 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.435 Ave N Shift Values>> N :: 109.67(3.87) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.21 W 0.11 K 0.06 R 0.06 P 0.05 E 0.05 Q 0.04 H 0.04 V 0.01 C Shift Assignments>> C :: 172.705 CA :: 60.698 CB :: 28.137 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.05 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.885 Ave N Shift Values>> N :: 120.17(4.64) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 R 0.14 L 0.14 C 0.12 H 0.12 K 0.11 W 0.09 E 0.06 M 0.02 HN Overlap>> 1.M169 1.M169 C Shift Assignments>> C :: 175.914 CA :: 54.072 CB :: 28.086 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 :: 8.526 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 :: 121.741 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 C 0.25 P 0.13 W 0.07 K 0.05 R 0.03 H 0.02 M 0.02 E 0.02 Q 0.01 C Shift Assignments>> C :: 176.789 CA :: 61.256 CB :: 32.432 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 :: 9.261 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 :: 129.841 Ave N Shift Values>> N :: 121.14(4.54) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V199 1.V199 C Shift Assignments>> C :: 172.069 CA :: 57.211 CB :: 63.615 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.804 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 :: 127.065 Ave N Shift Values>> N :: 116.28(3.52) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.32 L 0.13 F 0.06 C 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 177.29 CA :: 52.521(D) CB :: 40.44 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 :: 9.156(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 :: 127.511(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.13 R 0.1 H 0.09 Q 0.08 K 0.07 I 0.06 V 0.03 M 0.03 C Shift Assignments>> C :: 176.211 CA :: 59.426 CB :: 29.994 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 :: 9.151 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 :: 122.243 Ave N Shift Values>> N :: 121.14(4.54) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.444 CA :: 45.657 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.615 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.006 Ave N Shift Values>> N :: 109.67(3.87) 1.M84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.16 K 0.15 H 0.11 R 0.11 Q 0.1 W 0.06 E 0.03 C Shift Assignments>> C :: 174.641 CA :: 53.904(D) CB :: 32.525 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 :: 8.283(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 :: 126.662(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Q 0.19 M 0.18 K 0.15 E 0.11 H 0.02 R 0.02 V 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 171.245(D) CA :: 56.95(D) CB :: 34.6(D) 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 :: 8.501(D) 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 :: 119.106(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 S 0.19 HN Overlap>> 1.A240 1.A240 C Shift Assignments>> CA :: 67.04 CB :: 65.11 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 :: 8.671 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.87 Ave N Shift Values>> N :: 115.42(4.75) 1.P88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.19 P 0.15 V 0.13 W 0.03 C Shift Assignments>> C :: 177.293 CA :: 64.339 CB :: 29.221 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 :: 7.034 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 :: 117.762 Ave N Shift Values>> N :: 121.14(4.54) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 Y 0.19 F 0.18 D 0.17 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 180.009(D) CA :: 55.443(D) CB :: 39.119(D) 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 :: 6.918(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 :: 125.875(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 M 0.17 C 0.17 Q 0.11 R 0.1 H 0.09 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 179.032 CA :: 56.947 CB :: 32.695 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 :: 7.624 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 :: 119.177 Ave N Shift Values>> N :: 120.52(4.2) 1.Y92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.21 Y 0.15 F 0.11 E 0.02 C Shift Assignments>> CA :: 61.65(D) CB :: 37.847(D) 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 :: 8.348(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 :: 122.948(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.68 A 0.25 I 0.03 C 0.01 C Shift Assignments>> C :: 177.372 CA :: 55.133(D) CB :: 17.022 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 :: 125.69(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.47 C 0.01 C Shift Assignments>> C :: 175.589 CA :: 52.184 CB :: 15.415 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.454 Ave N Shift Values>> N :: 123.23(3.54) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.06 R 0.06 C 0.05 N 0.03 C Shift Assignments>> C :: 176.149 CA :: 54.969 CB :: 41.782 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 :: 7.611 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 :: 115.955 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.32 C 0.23 P 0.18 W 0.07 K 0.03 R 0.03 E 0.02 H 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 177.024 CA :: 61.524 CB :: 31.953 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 :: 7.231 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 :: 111.814 Ave N Shift Values>> N :: 121.14(4.54) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.24 F 0.1 Y 0.09 L 0.08 C 0.08 C Shift Assignments>> C :: 175.827 CA :: 53.869 CB :: 39.414 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 :: 7.756 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 :: 122.719 Ave N Shift Values>> N :: 121.86(3.9) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.12 E 0.11 I 0.11 Q 0.1 H 0.09 R 0.07 M 0.01 V 0.01 C Shift Assignments>> C :: 178.23 CA :: 59.207 CB :: 28.953 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 :: 8.261 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 :: 120.149 Ave N Shift Values>> N :: 120.67(3.48) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.363 CA :: 44.48 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.976 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.553 Ave N Shift Values>> N :: 109.67(3.87) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 C 0.15 Q 0.12 W 0.11 M 0.11 E 0.07 K 0.05 C Shift Assignments>> C :: 177.481 CA :: 53.429 CB :: 30.442 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 :: 8.524 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 :: 120.707 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.44 CA :: 55.845 CB :: 65.793 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.957 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 :: 115.376 Ave N Shift Values>> N :: 116.28(3.52) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 169.538 CA :: 45.443 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.195 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.895 Ave N Shift Values>> N :: 109.67(3.87) 1.V103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.18 K 0.12 Q 0.11 M 0.08 E 0.04 W 0.03 R 0.02 I 0.02 H 0.02 Y 0.01 C Shift Assignments>> C :: 171.67 CA :: 59.83 CB :: 34.11 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 :: 9.248(D) 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 :: 122.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.21 P 0.16 Q 0.11 K 0.09 H 0.06 R 0.05 W 0.03 HN Overlap>> 1.L202 1.L202 1.V411 1.V411 C Shift Assignments>> C :: 174.379 CA :: 51.96 CB :: 33.248 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.055 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 :: 127.691 Ave N Shift Values>> N :: 120.09(3.57) 1.L105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.2 N 0.16 F 0.07 K 0.07 Y 0.05 C 0.05 C Shift Assignments>> C :: 174.884(D) CA :: 53.474(D) CB :: 41.021 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.056(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 :: 133.938(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.939 CA :: 59.21(D) CB :: 69.199(D) 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 :: 8.107(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 :: 122.995(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 HN Overlap>> 1.I13 1.I13 C Shift Assignments>> C :: 174.309 CA :: 44.148 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.789 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.98 Ave N Shift Values>> N :: 109.67(3.87) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.309 CA :: 59.444 CB :: 61.097 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.508 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.918 Ave N Shift Values>> N :: 116.28(3.52) 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.13 C 0.12 Y 0.11 F 0.09 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.502 CA :: 54.031 CB :: 38.36 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 :: 9.049 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 :: 113.949 Ave N Shift Values>> N :: 120.65(3.86) 1.Y114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 C 0.13 D 0.1 L 0.09 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 177.079 CA :: 57.284(D) CB :: 39.879(D) 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 :: 7.983(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 :: 118.672(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.3 L 0.14 C 0.05 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> C :: 172.809(D) CA :: 51.585(D) CB :: 40.852(D) 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 :: 8.798(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 :: 118.714(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 170.721(D) CA :: 46.811(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.608(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.644(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.2 D 0.19 R 0.09 F 0.09 Y 0.06 C 0.05 N 0.02 HN Overlap>> 1.G249 1.G249 C Shift Assignments>> C :: 175.31 CA :: 55.36(D) CB :: 42.02 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 :: 9.207(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 :: 115.165(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 C 0.2 M 0.19 K 0.17 E 0.06 R 0.03 H 0.03 W 0.02 V 0.02 Y 0.01 C Shift Assignments>> C :: 176.468 CA :: 56.809(D) CB :: 34.18(D) 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 :: 9.278(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 :: 123.863(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 F 0.21 C 0.18 Y 0.15 K 0.06 R 0.02 G 0.01 C Shift Assignments>> C :: 173.458(D) CA :: 62.39(D) CB :: 41.911(D) 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 :: 8.47(D) 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 :: 122.428(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.2 K 0.12 Q 0.08 M 0.07 W 0.06 R 0.05 H 0.04 E 0.03 P 0.01 C Shift Assignments>> C :: 175.765 CA :: 59.882 CB :: 33.091 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 :: 9.356 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 :: 130.015 Ave N Shift Values>> N :: 121.14(4.54) 1.V121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.17 K 0.14 Q 0.08 M 0.08 W 0.07 R 0.06 H 0.04 E 0.03 HN Overlap>> 1.A422 1.A422 C Shift Assignments>> C :: 175.68(D) CA :: 59.56(D) CB :: 33.03(D) 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 :: 9.04(D) 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 :: 125.53(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.66 M 0.32 C 0.01 C Shift Assignments>> C :: 176.561(D) CA :: 52.57(D) CB :: 17.196(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.071(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.07(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.548(D) CA :: 44.771(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.191(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.14 C 0.12 W 0.11 R 0.1 E 0.08 M 0.04 L 0.03 C Shift Assignments>> CA :: 54.313(D) CB :: 28.936 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 :: 7.933(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 :: 123.864(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 D 0.22 K 0.18 F 0.11 Y 0.08 C 0.05 N 0.04 R 0.03 C Shift Assignments>> C :: 176.45(D) CA :: 55.42(D) CB :: 41.486(D) 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 :: 8.301(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 :: 127.78(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 A 0.22 C 0.18 K 0.05 P 0.01 HN Overlap>> 1.A232 1.A232 C Shift Assignments>> C :: 177.587 CA :: 50.61(D) CB :: 23.353(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.563(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 C 0.19 Y 0.16 F 0.12 E 0.11 D 0.05 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 177.909(D) CA :: 55.268(D) CB :: 37.643(D) 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 :: 10.264(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 :: 119.483(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 C 0.13 E 0.13 H 0.11 R 0.09 I 0.04 M 0.02 L 0.01 HN Overlap>> 1.L392 1.L392 C Shift Assignments>> C :: 178.765 CA :: 57.626 CB :: 28.874 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 :: 8.304 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 :: 119.652 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 C 0.27 V 0.13 Y 0.04 F 0.02 E 0.01 HN Overlap>> 1.Q355 1.I167 1.Q355 1.I167 C Shift Assignments>> CA :: 63.667(D) CB :: 36.404(D) 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 :: 7.005(D) 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 :: 119.998(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.18 C 0.17 Q 0.09 K 0.08 I 0.07 W 0.06 H 0.05 E 0.03 HN Overlap>> 1.R158 1.R158 C Shift Assignments>> C :: 178.085 CA :: 57.571 CB :: 26.573 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 :: 7.197 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.948 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.42 I 0.01 C 0.01 HN Overlap>> 1.E434 1.E434 C Shift Assignments>> C :: 180.5 CA :: 54.169 CB :: 17.227(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.868(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.838(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.11 I 0.05 K 0.05 N 0.02 C Shift Assignments>> C :: 177.613 CA :: 57.401 CB :: 40.367 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 :: 7.173 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 :: 118.564 Ave N Shift Values>> N :: 121.86(3.9) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.24 L 0.1 W 0.1 Q 0.08 K 0.05 H 0.05 E 0.05 R 0.02 P 0.01 C Shift Assignments>> C :: 178.566 CA :: 59.207 CB :: 26.829 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.33 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 :: 119.497 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.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.13 I 0.11 E 0.11 Q 0.1 H 0.09 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 178.074 CA :: 58.998 CB :: 28.618 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 :: 7.831 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 :: 119.28 Ave N Shift Values>> N :: 120.67(3.48) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 I 0.12 E 0.1 R 0.08 H 0.07 K 0.06 V 0.06 Q 0.05 M 0.01 P 0.01 HN Overlap>> 1.D407 1.D407 C Shift Assignments>> C :: 178.914 CA :: 60.392 CB :: 29.842 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 :: 7.817 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 :: 118.156 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.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.18 V 0.04 Y 0.02 F 0.02 C Shift Assignments>> C :: 178.343 CA :: 65.125 CB :: 37.392 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 :: 7.079 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 :: 118.224 Ave N Shift Values>> N :: 121.46(4.28) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 K 0.13 E 0.12 Q 0.1 H 0.09 I 0.08 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.623 CA :: 58.933 CB :: 29.067 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 :: 7.959 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 :: 120.203 Ave N Shift Values>> N :: 120.67(3.48) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 R 0.14 H 0.14 C 0.13 K 0.12 W 0.09 E 0.08 Q 0.06 C Shift Assignments>> C :: 176.182 CA :: 55.584 CB :: 31.647 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 :: 7.972 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.18 Y 0.12 F 0.09 E 0.09 D 0.06 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.622 CA :: 54.472 CB :: 37.559 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 :: 7.848 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 :: 120.464 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.2 C 0.07 L 0.05 F 0.04 Y 0.04 HN Overlap>> 1.R335 1.R335 C Shift Assignments>> C :: 174.777(D) CA :: 52.115(D) CB :: 39.199(D) 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 :: 8.767(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 :: 122.94(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 C 0.01 D 0.01 C Shift Assignments>> C :: 176.043 CA :: 51.519 CB :: 45.113 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 :: 6.953 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 :: 119.5 Ave N Shift Values>> N :: 121.86(3.9) 1.A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 176.928 CA :: 50.997 CB :: 20.083 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.861 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.286 Ave N Shift Values>> N :: 123.23(3.54) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 173.117 CA :: 56.548 CB :: 65.481 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.312 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 :: 116.118 Ave N Shift Values>> N :: 116.28(3.52) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 170.346 CA :: 44.361 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.797 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.596 Ave N Shift Values>> N :: 109.67(3.87) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 C 0.23 P 0.2 W 0.09 I 0.04 R 0.03 E 0.03 H 0.02 K 0.02 M 0.01 Q 0.01 HN Overlap>> 1.I388 1.L452 1.L44 1.I388 1.L452 1.L44 C Shift Assignments>> C :: 175.688 CA :: 61.739 CB :: 31.268 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 :: 8.413 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.876 Ave N Shift Values>> N :: 121.14(4.54) 1.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 HN Overlap>> 1.K453 1.E63 1.K453 1.E63 C Shift Assignments>> C :: 172.516 CA :: 43.258 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 109.67(3.87) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.516 CA :: 57.192 CB :: 65.753 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.393 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.483 Ave N Shift Values>> N :: 116.28(3.52) 1.V150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.19 K 0.12 Q 0.1 M 0.08 W 0.04 R 0.03 E 0.02 H 0.02 I 0.01 Y 0.01 C Shift Assignments>> C :: 173.751 CA :: 59.893 CB :: 33.84 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 :: 8.36 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.094 Ave N Shift Values>> N :: 121.14(4.54) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.17 K 0.14 H 0.11 R 0.11 Q 0.09 W 0.06 E 0.03 C Shift Assignments>> C :: 174.797 CA :: 53.742 CB :: 32.478 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 :: 8.529 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.616 Ave N Shift Values>> N :: 120.67(3.48) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.11 R 0.1 E 0.09 L 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 175.674 CA :: 55.499 CB :: 28.49 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 :: 8.686 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 :: 124.613 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 V 0.21 E 0.07 I 0.07 K 0.06 Q 0.05 M 0.04 Y 0.03 W 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 173.723 CA :: 60.615 CB :: 34.791 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 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 :: 125.284 Ave N Shift Values>> N :: 121.14(4.54) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.27 L 0.08 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.673 CA :: 52.201 CB :: 39.772 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 :: 8.531 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 :: 127.27 Ave N Shift Values>> N :: 120.65(3.86) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.18 L 0.12 C 0.09 D 0.06 I 0.05 R 0.02 C Shift Assignments>> C :: 175.882 CA :: 58.118 CB :: 41.334 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 :: 8.744 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 :: 126.85 Ave N Shift Values>> N :: 121.46(4.28) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.21 K 0.16 C 0.12 I 0.11 L 0.06 D 0.02 R 0.02 C Shift Assignments>> C :: 175.177 CA :: 59.451 CB :: 41.34 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 :: 8.312 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 :: 127.089 Ave N Shift Values>> N :: 121.86(3.9) 1.P157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.11 H 0.11 Q 0.09 K 0.09 I 0.04 M 0.03 V 0.02 HN Overlap>> 1.Q132 1.Q132 C Shift Assignments>> C :: 178.049 CA :: 58.84 CB :: 29.87 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 :: 7.263 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 :: 119.02 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.Y159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.19 Y 0.17 F 0.14 E 0.01 C Shift Assignments>> C :: 175.276 CA :: 61.369 CB :: 38.165 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 :: 7.632 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.963 Ave N Shift Values>> N :: 120.52(4.2) 1.F160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 Y 0.26 F 0.26 C 0.15 L 0.01 HN Overlap>> 1.V271 1.V271 C Shift Assignments>> C :: 176.811 CA :: 60.071(D) CB :: 39.548 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 :: 8.613(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 :: 118.688(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 HN Overlap>> 1.K269 1.K269 C Shift Assignments>> CA :: 58.999 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 :: 7.831 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.868 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 C 0.19 I 0.13 L 0.11 Q 0.09 W 0.08 H 0.05 E 0.05 K 0.04 HN Overlap>> 1.I192 1.I192 C Shift Assignments>> C :: 179.275 CA :: 58.506 CB :: 27 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 :: 7.991 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 :: 119.02 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 V 0.25 C 0.21 Y 0.01 C Shift Assignments>> C :: 177.307 CA :: 65.951 CB :: 36.253 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 :: 7.414 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 :: 117.335 Ave N Shift Values>> N :: 121.46(4.28) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.13 E 0.11 I 0.11 Q 0.1 H 0.09 R 0.07 M 0.01 L 0.01 HN Overlap>> 1.K445 1.Q451 1.E390 1.K445 1.Q451 1.E390 C Shift Assignments>> C :: 178.238 CA :: 58.982 CB :: 28.67 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 :: 8.206 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.491 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.D165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.19 Y 0.18 N 0.15 L 0.11 C 0.11 I 0.02 C Shift Assignments>> C :: 176.708 CA :: 55.571 CB :: 39.616 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 :: 8.333 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.894 Ave N Shift Values>> N :: 120.65(3.86) 1.D166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.25 R 0.06 C 0.05 D 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.746 CA :: 54.901 CB :: 44.951 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 :: 7.45 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 :: 120.152 Ave N Shift Values>> N :: 120.65(3.86) 1.I167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.3 C 0.26 M 0.1 Y 0.09 K 0.06 F 0.04 I 0.04 Q 0.03 V 0.01 HN Overlap>> 1.I131 1.Q355 1.I131 1.Q355 C Shift Assignments>> C :: 174.673(D) CA :: 57.675(D) CB :: 35.968 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 :: 7.084(D) 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 :: 119.94(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.02 C 0.01 C Shift Assignments>> C :: 176.16 CA :: 49.922 CB :: 19.324 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.785 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.508 Ave N Shift Values>> N :: 123.23(3.54) 1.M169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.16 K 0.15 H 0.11 R 0.11 Q 0.1 W 0.06 E 0.03 HN Overlap>> 1.Q78 1.Q78 C Shift Assignments>> C :: 177.672 CA :: 54.238 CB :: 32.547 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 :: 8.434 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 :: 121.769 Ave N Shift Values>> N :: 120.09(3.57) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C 0.01 C Shift Assignments>> C :: 176.24 CA :: 52.268 CB :: 18.633 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 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.706 Ave N Shift Values>> N :: 123.23(3.54) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 H 0.16 R 0.15 C 0.15 K 0.09 W 0.09 Q 0.07 E 0.06 HN Overlap>> 1.V455 1.V455 C Shift Assignments>> C :: 172.369 CA :: 53.73 CB :: 31.422 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 :: 7.312 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 :: 116.916 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.17 Y 0.11 F 0.08 E 0.08 D 0.06 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 173.558 CA :: 54.241 CB :: 37.549 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 :: 6.773 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 :: 118.229 Ave N Shift Values>> N :: 120.09(3.57) 1.K174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.17 Q 0.16 C 0.16 R 0.08 H 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 175.857(D) CA :: 54.83(D) CB :: 33.09 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 :: 9.776(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 :: 126.805(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.2 I 0.09 Y 0.07 V 0.06 M 0.06 K 0.06 Q 0.04 F 0.03 C Shift Assignments>> C :: 174.813 CA :: 59.506 CB :: 35.529 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 :: 9.006 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.09 Ave N Shift Values>> N :: 121.14(4.54) 1.V176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.16 V 0.1 E 0.1 R 0.1 H 0.08 K 0.05 Q 0.05 I 0.04 M 0.03 P 0.01 HN Overlap>> 1.I281 1.I281 C Shift Assignments>> C :: 174.081 CA :: 60.06 CB :: 30.785 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 :: 7.874 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 :: 126.418 Ave N Shift Values>> N :: 121.14(4.54) 1.V177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.24 K 0.11 Q 0.07 M 0.06 W 0.05 R 0.04 H 0.03 E 0.02 P 0.02 I 0.01 C Shift Assignments>> C :: 172.425 CA :: 60.224(D) CB :: 33.328 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 :: 8.251(D) 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 :: 128.441(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.26 G 0.14 R 0.11 N 0.05 C 0.05 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 178.947 CA :: 51.155(D) CB :: 42.794 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 :: 9.368(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 :: 127.276(D) Ave N Shift Values>> N :: 120.65(3.86) 1.C179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 C 0.2 W 0.14 K 0.09 E 0.08 Q 0.07 R 0.06 H 0.06 P 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 176.808 CA :: 59.986(D) CB :: 28.388(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.291(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.673(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 P 0.15 C 0.1 A 0.08 L 0.03 N 0.02 C Shift Assignments>> C :: 171.066(D) CA :: 47.903(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.119(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.76(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.22 C 0.16 N 0.11 D 0.1 L 0.05 I 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 175.075(D) CA :: 56.317(D) CB :: 38.762(D) 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 :: 9.242(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 :: 107.047(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.27 G 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.428(D) CA :: 44.011(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.45(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.925(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.33 C 0.17 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 176.199 CA :: 62.602(D) CB :: 32.323(D) 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 :: 8.136(D) 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 :: 117.687(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.23 I 0.02 C 0.01 C Shift Assignments>> C :: 178.544(D) CA :: 54.858(D) CB :: 16.488(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.576(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.044(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.49 CA :: 46.529(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.281(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.83(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 P 0.24 C 0.21 W 0.08 I 0.04 R 0.03 E 0.02 H 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 175.012(D) CA :: 61.989(D) CB :: 31.296(D) 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 :: 7.369(D) 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 :: 112.73(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 I 0.22 C 0.14 L 0.02 K 0.02 D 0.01 C Shift Assignments>> C :: 171.931 CA :: 59.949 CB :: 40.372 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 :: 7.427 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 :: 114.802 Ave N Shift Values>> N :: 121.46(4.28) 1.A188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.81 I 0.11 A 0.04 C 0.02 HN Overlap>> 1.L191 1.L191 C Shift Assignments>> C :: 174.54(D) CA :: 56.62(D) CB :: 15.512(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.565(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.864(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P189 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 R 0.19 I 0.18 W 0.09 L 0.08 Q 0.08 H 0.05 E 0.05 K 0.04 HN Overlap>> 1.I39 1.I39 C Shift Assignments>> C :: 179.659 CA :: 59.033 CB :: 27.088 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 :: 8.782 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 :: 119.038 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.18 K 0.16 L 0.15 D 0.11 C 0.09 I 0.03 R 0.01 N 0.01 HN Overlap>> 1.A188 1.A188 C Shift Assignments>> C :: 177.27(D) CA :: 57.299(D) CB :: 41.084(D) 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 :: 8.598(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 :: 123.821(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.58 C 0.22 V 0.15 Y 0.01 F 0.01 HN Overlap>> 1.Q162 1.Q162 C Shift Assignments>> C :: 178.201 CA :: 65.313(D) CB :: 36.582(D) 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 :: 8.06(D) 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 :: 119.026(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 E 0.13 K 0.13 Q 0.11 H 0.1 R 0.09 I 0.05 M 0.02 V 0.01 C Shift Assignments>> C :: 180.513 CA :: 58.51 CB :: 29.277 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 :: 7.855 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 :: 121.665 Ave N Shift Values>> N :: 120.67(3.48) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 179.218 CA :: 54.063 CB :: 17.891 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.932 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.909 Ave N Shift Values>> N :: 123.23(3.54) 1.L195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.2 F 0.15 Y 0.12 K 0.08 N 0.07 C 0.07 I 0.01 HN Overlap>> 1.T31 1.T31 C Shift Assignments>> C :: 176.814(D) CA :: 55.397(D) CB :: 40.792(D) 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 :: 7.641(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 :: 117.263(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.736 CA :: 44.257 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.911 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.605 Ave N Shift Values>> N :: 109.67(3.87) 1.C197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 H 0.11 K 0.1 R 0.1 Q 0.1 I 0.05 M 0.02 V 0.01 C Shift Assignments>> C :: 174.43 CA :: 58.727 CB :: 29.637 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.112 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.974 Ave N Shift Values>> N :: 120.17(4.64) 1.S198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.626 CA :: 57.272 CB :: 63.641 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.536 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.588 Ave N Shift Values>> N :: 116.28(3.52) 1.V199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.31 K 0.08 Q 0.06 M 0.04 W 0.04 P 0.03 R 0.02 H 0.02 I 0.01 E 0.01 HN Overlap>> 1.S80 1.S80 C Shift Assignments>> C :: 175.544 CA :: 60.716 CB :: 33.55 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 :: 8.798 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.089 Ave N Shift Values>> N :: 121.14(4.54) 1.I200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.21 F 0.17 E 0.12 N 0.08 I 0.05 D 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 173.517 CA :: 56.556 CB :: 37.799 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 :: 8.605 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 :: 131.074 Ave N Shift Values>> N :: 121.46(4.28) 1.P201 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.28 R 0.12 D 0.07 C 0.04 F 0.01 HN Overlap>> 1.M104 1.M104 C Shift Assignments>> C :: 174.29 CA :: 53.165 CB :: 44.308 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 :: 8.99 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 :: 127.623 Ave N Shift Values>> N :: 121.86(3.9) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 Q 0.19 K 0.18 C 0.16 R 0.07 H 0.06 W 0.04 E 0.02 V 0.01 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 176.962 CA :: 55.66 CB :: 33.36 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 :: 8.992 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.274 Ave N Shift Values>> N :: 120.52(4.2) 1.C204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.2 P 0.09 W 0.09 R 0.07 K 0.03 Q 0.03 E 0.03 H 0.03 L 0.01 C Shift Assignments>> C :: 174.354 CA :: 60.823 CB :: 27.628 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.644 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.225 Ave N Shift Values>> N :: 120.17(4.64) 1.E205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.14 H 0.12 C 0.12 R 0.11 W 0.11 E 0.1 L 0.06 I 0.02 M 0.02 HN Overlap>> 1.K229 1.K229 1.D279 1.D279 C Shift Assignments>> C :: 176.564 CA :: 56.171 CB :: 28.343 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 :: 8.118 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 :: 121.719 Ave N Shift Values>> N :: 120.67(3.48) 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 V 0.21 C 0.21 P 0.2 W 0.05 C Shift Assignments>> C :: 176.375 CA :: 63.628 CB :: 29.892 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 :: 8.619 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 :: 128.07 Ave N Shift Values>> N :: 121.14(4.54) 1.D207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> CA :: 53.37(D) CB :: 41.31(D) 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 :: 8.548(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 :: 128.877(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.084 CA :: 45.991 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.944 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.67 Ave N Shift Values>> N :: 109.67(3.87) 1.N209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.14 Y 0.13 C 0.12 F 0.12 L 0.04 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 174.811 CA :: 54.467 CB :: 38.554 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 :: 8.492 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.665 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 C 0.24 Y 0.18 F 0.12 I 0.06 M 0.05 N 0.03 K 0.01 D 0.01 C Shift Assignments>> C :: 172.851(D) CA :: 57.061(D) CB :: 37.102(D) 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 :: 8.01(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 :: 113.104(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P211 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.19 Y 0.17 F 0.16 C 0.12 L 0.08 I 0.01 C Shift Assignments>> C :: 173.94 CA :: 55.146 CB :: 39.154 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 :: 7.781 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 :: 119.924 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.15 K 0.15 C 0.12 W 0.11 R 0.1 E 0.09 M 0.04 L 0.03 C Shift Assignments>> C :: 173.676 CA :: 54.61 CB :: 28.934 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 :: 7.462 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 :: 112.222 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.16 K 0.14 C 0.12 W 0.11 R 0.11 E 0.08 M 0.04 L 0.03 C Shift Assignments>> C :: 177.701 CA :: 53.994 CB :: 29.03 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 :: 9.307 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 :: 123.249 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P215 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.13 D 0.11 L 0.08 I 0.05 N 0.05 C Shift Assignments>> C :: 178.88 CA :: 56.94 CB :: 39.55 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 :: 6.851 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 :: 123.61 Ave N Shift Values>> N :: 120.65(3.86) 1.P217 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.721(D) CA :: 45.067(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.769(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.86(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.41 C 0.15 M 0.14 H 0.07 R 0.06 K 0.05 W 0.04 Q 0.02 E 0.01 C Shift Assignments>> C :: 175.181(D) CA :: 51.675(D) CB :: 32.197(D) 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 :: 6.63(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 :: 120.714(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P220 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 I 0.17 R 0.17 W 0.1 Q 0.08 L 0.06 E 0.06 K 0.06 H 0.06 C Shift Assignments>> C :: 178.365 CA :: 59.056 CB :: 27.388 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 :: 9.8 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 :: 120.555 Ave N Shift Values>> N :: 120.67(3.48) 1.N222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 C 0.17 E 0.08 Y 0.07 M 0.05 F 0.05 D 0.04 L 0.01 HN Overlap>> 1.L237 1.L237 C Shift Assignments>> C :: 175.52(D) CA :: 53.429(D) CB :: 37.193(D) 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 :: 7.762(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.566(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.21 N 0.15 K 0.07 F 0.07 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 175.692 CA :: 53.538 CB :: 41.098 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 :: 7.552 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 :: 119.88 Ave N Shift Values>> N :: 121.86(3.9) 1.K224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.17 W 0.12 R 0.08 K 0.08 E 0.07 H 0.06 M 0.05 P 0.02 Q 0.02 I 0.01 C Shift Assignments>> C :: 178.755 CA :: 60.085 CB :: 31.719 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 :: 6.743 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 :: 121.609 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.15 D 0.08 I 0.06 L 0.05 N 0.05 E 0.01 C Shift Assignments>> C :: 178.491 CA :: 56.982 CB :: 39.073 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 :: 8.587 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 :: 122.688 Ave N Shift Values>> N :: 120.65(3.86) 1.L226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.12 C 0.1 K 0.1 D 0.09 I 0.05 N 0.01 HN Overlap>> 1.I343 1.I343 C Shift Assignments>> C :: 177.293 CA :: 57.665 CB :: 40.746 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 :: 8.506 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.534 Ave N Shift Values>> N :: 121.86(3.9) 1.I227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.14 Y 0.01 F 0.01 V 0.01 C Shift Assignments>> CA :: 66.122 CB :: 38.125 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 :: 8.351 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 :: 120.319 Ave N Shift Values>> N :: 121.46(4.28) 1.A228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.02 C 0.01 C Shift Assignments>> C :: 180.63 CA :: 54.487 CB :: 17.254 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.666 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.888 Ave N Shift Values>> N :: 123.23(3.54) 1.K229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.14 H 0.13 W 0.12 E 0.12 M 0.11 K 0.1 Q 0.08 V 0.01 HN Overlap>> 1.E205 1.D279 1.E205 1.D279 C Shift Assignments>> C :: 178.017 CA :: 56.977 CB :: 31.219 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 :: 8.129 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 :: 121.621 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 P 0.26 C 0.11 I 0.06 C Shift Assignments>> CA :: 66.183 CB :: 31.042 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 :: 8.591 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.893 Ave N Shift Values>> N :: 121.14(4.54) 1.K231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.15 R 0.12 E 0.11 H 0.1 K 0.08 M 0.07 V 0.06 Q 0.06 I 0.01 C Shift Assignments>> C :: 180.036 CA :: 58.919 CB :: 31.185 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 :: 7.418 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 :: 116.688 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.42 C 0.02 I 0.01 HN Overlap>> 1.A127 1.A127 C Shift Assignments>> C :: 179.782 CA :: 54.571 CB :: 18.298 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.675 Ave N Shift Values>> N :: 123.23(3.54) 1.E233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.13 H 0.13 C 0.12 R 0.11 W 0.1 L 0.09 E 0.07 M 0.02 C Shift Assignments>> C :: 175.635 CA :: 54.413 CB :: 28.356 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 :: 7.801 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 :: 113.321 Ave N Shift Values>> N :: 120.67(3.48) 1.N234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.2 E 0.14 M 0.09 Y 0.08 F 0.05 D 0.02 K 0.01 C Shift Assignments>> C :: 175.35 CA :: 53.874 CB :: 36.832 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 :: 7.728 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 :: 118.978 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 175.559 CA :: 51.261 CB :: 19.59 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.845 Ave N Shift Values>> N :: 123.23(3.54) 1.D236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 F 0.12 R 0.12 D 0.11 Y 0.09 C 0.06 C Shift Assignments>> C :: 176.612 CA :: 56.614 CB :: 42.105 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 :: 8.917 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.883 Ave N Shift Values>> N :: 120.65(3.86) 1.L237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 C 0.03 D 0.01 R 0.01 HN Overlap>> 1.N222 1.N222 C Shift Assignments>> C :: 173.538 CA :: 54.184 CB :: 45.489 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 :: 7.65 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 :: 117.563 Ave N Shift Values>> N :: 121.86(3.9) 1.G238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.35 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 170.346 CA :: 44.216(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.998(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.22(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.06 C 0.01 C Shift Assignments>> C :: 173.963 CA :: 52.13(D) CB :: 45.563 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 :: 8.738(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 :: 124.089(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.53 G 0.39 C 0.04 L 0.02 HN Overlap>> 1.T87 1.T87 C Shift Assignments>> C :: 175.755(D) CA :: 48.46(D) CB :: 21.299(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.641(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.928(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 R 0.19 F 0.12 Y 0.08 D 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 176.533 CA :: 57.18 CB :: 42.437 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.923 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 :: 119.588 Ave N Shift Values>> N :: 120.45(4.18) 1.D242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.14 K 0.08 C 0.05 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 179.244 CA :: 52.204 CB :: 41.665 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 :: 8.098 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.893 Ave N Shift Values>> N :: 120.65(3.86) 1.G243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 G 0.27 A 0.14 C 0.08 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 171.439 CA :: 48.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.147 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.764 Ave N Shift Values>> N :: 109.67(3.87) 1.D244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.14 C 0.08 F 0.03 Y 0.03 L 0.03 C Shift Assignments>> C :: 175.902 CA :: 51.547 CB :: 38.764 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 :: 8.203 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 :: 111.759 Ave N Shift Values>> N :: 120.65(3.86) 1.G245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 HN Overlap>> 1.G36 1.G36 C Shift Assignments>> C :: 172.629 CA :: 46.114 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.117 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.096 Ave N Shift Values>> N :: 109.67(3.87) 1.D246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 175.392 CA :: 55.533 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 :: 8.526 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 :: 121.032 Ave N Shift Values>> N :: 120.65(3.86) 1.R247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 Q 0.22 C 0.18 K 0.16 H 0.05 R 0.05 W 0.02 E 0.02 C Shift Assignments>> C :: 173.636 CA :: 54.382 CB :: 33.817 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 :: 7.819 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.477 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.V248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.19 M 0.13 Q 0.12 K 0.11 Y 0.04 V 0.03 I 0.02 F 0.01 H 0.01 R 0.01 W 0.01 C Shift Assignments>> C :: 173.071 CA :: 57.901 CB :: 35.065 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 :: 8.067 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.302 Ave N Shift Values>> N :: 121.14(4.54) 1.G249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.3 D 0.08 K 0.07 F 0.06 Y 0.03 C 0.03 G 0.03 I 0.01 HN Overlap>> 1.F117 1.F117 C Shift Assignments>> C :: 171.904(D) CA :: 42.968(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.17(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.113(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.29 K 0.06 I 0.05 Q 0.05 E 0.04 M 0.03 Y 0.02 W 0.02 P 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 173.854(D) CA :: 60.972(D) CB :: 34.423(D) 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 :: 8.185(D) 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 :: 123.357(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.18 K 0.16 M 0.15 E 0.08 V 0.04 R 0.03 H 0.03 W 0.02 Y 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 175.84 CA :: 57.831 CB :: 34.336 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 :: 8.418 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 :: 121.976 Ave N Shift Values>> N :: 121.14(4.54) 1.T252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.75(D) CA :: 60.49(D) CB :: 70.517 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 :: 8.467(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 :: 113.465(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.23 Y 0.11 M 0.1 N 0.07 F 0.07 K 0.03 I 0.02 Q 0.01 C Shift Assignments>> C :: 175.451 CA :: 55.989 CB :: 36.579 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 :: 8.605 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.837 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 175.524 CA :: 60.952 CB :: 67.74 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 :: 7.408 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 :: 107.978 Ave N Shift Values>> N :: 115.42(4.75) 1.G255 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.25 CA :: 44.98 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.925 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.658 Ave N Shift Values>> N :: 109.67(3.87) 1.T256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 S 0.06 C Shift Assignments>> C :: 174.182 CA :: 62.747 CB :: 66.967 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 :: 7.19 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 :: 119.643 Ave N Shift Values>> N :: 115.42(4.75) 1.I257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 C 0.2 Y 0.13 F 0.1 E 0.01 V 0.01 C Shift Assignments>> C :: 174.628(D) CA :: 62.071(D) CB :: 37.812(D) 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 :: 8.294(D) 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 :: 128.684(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.22 M 0.21 C 0.18 K 0.17 R 0.04 H 0.04 E 0.03 W 0.02 V 0.01 C Shift Assignments>> C :: 175.736(D) CA :: 56.078(D) CB :: 33.93(D) 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 :: 7.993(D) 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 :: 130.369(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.31 C 0.25 Y 0.11 M 0.09 F 0.06 K 0.04 I 0.04 Q 0.02 N 0.01 V 0.01 C Shift Assignments>> C :: 174.06 CA :: 57.491(D) CB :: 36.223(D) 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 :: 8.514(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 :: 129.59(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P260 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 C 0.18 F 0.18 N 0.14 D 0.07 E 0.06 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 176.48(D) CA :: 56.022(D) CB :: 38.17(D) 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 :: 8.491(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.129(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R262 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 K 0.13 C 0.13 E 0.13 Q 0.12 H 0.11 R 0.1 I 0.04 M 0.02 C Shift Assignments>> C :: 178.429 CA :: 58.005(D) CB :: 29.229(D) 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 :: 7.381(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 :: 124.22(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.L263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 D 0.08 I 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 178.128 CA :: 57.685 CB :: 40.019(D) 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 :: 7.44(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 :: 120.745(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L264 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 178.2 CA :: 57.19 CB :: 40.55 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 :: 8.046 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 :: 117.767 Ave N Shift Values>> N :: 121.86(3.9) 1.M265 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.15 V 0.11 R 0.1 E 0.1 H 0.08 K 0.07 M 0.05 Q 0.04 I 0.02 P 0.01 C Shift Assignments>> C :: 176.228 CA :: 59.694(D) CB :: 31.253 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 :: 7.317(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 :: 118.508(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 K 0.16 L 0.14 C 0.09 D 0.09 I 0.04 R 0.01 C Shift Assignments>> C :: 179.428(D) CA :: 57.612(D) CB :: 41.071(D) 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 :: 6.67(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 :: 119.459(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F267 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.19 I 0.11 E 0.03 D 0.03 L 0.02 N 0.02 M 0.01 HN Overlap>> 1.T31 1.E442 1.T31 1.E442 C Shift Assignments>> C :: 177.565 CA :: 57.824 CB :: 38.539 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.773 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 :: 117.374 Ave N Shift Values>> N :: 120.45(4.18) 1.A268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.31 I 0.03 C 0.01 C Shift Assignments>> C :: 178.161(D) CA :: 54.912(D) CB :: 17.268(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.332(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.097(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K269 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.14 V 0.12 R 0.1 E 0.09 K 0.08 H 0.08 M 0.06 Q 0.04 I 0.01 P 0.01 HN Overlap>> 1.K161 1.K161 C Shift Assignments>> C :: 178.15 CA :: 59.663 CB :: 31.458 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 :: 7.92 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.879 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D270 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.18 F 0.12 K 0.1 C 0.07 Y 0.07 G 0.04 D 0.03 I 0.01 C Shift Assignments>> C :: 177.5 CA :: 57.981(D) CB :: 43.183 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 :: 7.221(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.18(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 P 0.23 C 0.1 I 0.02 HN Overlap>> 1.F160 1.F160 C Shift Assignments>> C :: 179.635(D) CA :: 66.47(D) CB :: 31.542(D) 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 :: 8.644(D) 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 :: 118.637(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V272 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 I 0.25 P 0.23 C 0.17 W 0.02 HN Overlap>> 1.I39 1.I39 C Shift Assignments>> C :: 177.633(D) CA :: 64.799(D) CB :: 30.006(D) 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 :: 8.902(D) 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 :: 119.102(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S273 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.904(D) CB :: 62.461(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.42(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 :: 116.036(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R274 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 175.36(D) CA :: 56.4(D) CB :: 32.07(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.655(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 :: 118.285(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.N275 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.33 L 0.1 C 0.07 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 169.25(S) CA :: 50.376 CB :: 40.649 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 :: 7.427 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 :: 119.102 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P276 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G277 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.879 CA :: 44.797 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.145 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.229 Ave N Shift Values>> N :: 109.67(3.87) 1.A278 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 176.166 CA :: 52.616 CB :: 19.213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.393 Ave N Shift Values>> N :: 123.23(3.54) 1.D279 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.21 N 0.13 K 0.08 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.K229 1.E205 1.K229 1.E205 C Shift Assignments>> C :: 175.787 CA :: 53.807(D) CB :: 41.08 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 :: 8.192(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 :: 121.65(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I280 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.19 I 0.11 E 0.04 D 0.03 N 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 174.702(D) CA :: 57.814(D) CB :: 38.43(D) 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 :: 8.031(D) 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 :: 121.895(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I281 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.19 I 0.17 E 0.03 D 0.01 L 0.01 HN Overlap>> 1.V176 1.V176 C Shift Assignments>> C :: 174.151 CA :: 58.677(D) CB :: 38.427(D) 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 :: 7.891(D) 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 :: 126.361(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F282 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 N 0.24 F 0.14 Y 0.13 L 0.11 C 0.09 I 0.01 C Shift Assignments>> C :: 173.86(D) CA :: 54.67(D) CB :: 39.63(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.799(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 :: 123.683(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D283 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.33 L 0.3 R 0.15 D 0.11 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 177.81(D) CA :: 52.79(D) CB :: 43.99(D) 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 :: 7.459(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 :: 118.18(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V284 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K285 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C286 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T287 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R288 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R289 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 C 0.12 W 0.12 H 0.12 E 0.11 R 0.08 L 0.04 I 0.03 M 0.02 C Shift Assignments>> CA :: 56.795 CB :: 28.487 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 :: 8.622 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 :: 121.64 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.L290 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.11 C 0.11 K 0.1 D 0.08 I 0.06 C Shift Assignments>> C :: 177.167 CA :: 57.955 CB :: 40.764 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 :: 7.232 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 :: 120.829 Ave N Shift Values>> N :: 121.86(3.9) 1.I291 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.17 V 0.05 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.717 CA :: 65.422 CB :: 37.331 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 :: 6.828 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 :: 119.081 Ave N Shift Values>> N :: 121.46(4.28) 1.A292 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.54 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 180.607(D) CA :: 54.014(D) CB :: 17.812(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.106(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.354(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L293 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.16 Y 0.14 D 0.08 C 0.08 R 0.06 I 0.02 HN Overlap>> 1.I352 1.I352 C Shift Assignments>> C :: 178.282 CA :: 57.608 CB :: 41.693 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 :: 7.555 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 :: 120.453 Ave N Shift Values>> N :: 121.86(3.9) 1.I294 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.73 C 0.17 V 0.05 Y 0.02 F 0.01 HN Overlap>> 1.D407 1.D407 C Shift Assignments>> C :: 178.439(D) CA :: 65.666(D) CB :: 37.363(D) 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 :: 7.928(D) 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 :: 118.23(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S295 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.E325 1.E325 C Shift Assignments>> CA :: 61.232(D) CB :: 62.59(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.968(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.939(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G296 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 175.531 CA :: 46.355 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.249 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.971 Ave N Shift Values>> N :: 109.67(3.87) 1.Y297 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.23 C 0.2 I 0.13 E 0.06 D 0.02 N 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 175.694 CA :: 58.004 CB :: 38.231 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 :: 7.364 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 :: 117.944 Ave N Shift Values>> N :: 120.52(4.2) 1.G298 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.227 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.836 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.18 Ave N Shift Values>> N :: 109.67(3.87) 1.G299 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.375 CA :: 43.241 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.236 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.347 Ave N Shift Values>> N :: 109.67(3.87) 1.R300 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 H 0.17 R 0.14 M 0.14 W 0.1 Q 0.08 K 0.05 P 0.05 E 0.05 C Shift Assignments>> C :: 173.085 CA :: 52.486 CB :: 30.876 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 :: 8.634 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 :: 121.972 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.P301 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V302 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 C 0.25 P 0.11 W 0.08 K 0.05 R 0.04 H 0.03 E 0.03 M 0.03 Q 0.01 I 0.01 C Shift Assignments>> C :: 172.3 CA :: 61.076 CB :: 32.184 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 :: 8.815 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 :: 129.484 Ave N Shift Values>> N :: 121.14(4.54) 1.M303 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.19 K 0.17 C 0.16 H 0.07 R 0.07 W 0.03 E 0.02 C Shift Assignments>> C :: 175.492 CA :: 54.627 CB :: 33.356 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 :: 7.796 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 :: 127.598 Ave N Shift Values>> N :: 120.09(3.57) 1.W304 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K305 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T306 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G307 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 175.668 CA :: 44.268 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.547 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.586 Ave N Shift Values>> N :: 109.67(3.87) 1.H308 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S309 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L310 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I311 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K312 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.09 K 0.07 Q 0.05 M 0.05 I 0.02 HN Overlap>> 1.D341 1.D341 C Shift Assignments>> C :: 178.776 CA :: 59.595 CB :: 30.997 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 :: 7.684 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 :: 120.388 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K313 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.12 K 0.11 R 0.11 V 0.09 E 0.09 H 0.09 M 0.09 Q 0.04 C Shift Assignments>> C :: 178.219 CA :: 59.085 CB :: 31.789 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 :: 7.479 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 :: 119.971 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K314 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 W 0.12 C 0.12 E 0.12 Q 0.11 M 0.1 K 0.08 C Shift Assignments>> C :: 179.554 CA :: 56.071 CB :: 30.77 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 :: 7.54 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 :: 121.35 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M315 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.13 K 0.12 R 0.11 E 0.09 H 0.09 V 0.08 M 0.08 Q 0.04 HN Overlap>> 1.I444 1.I444 C Shift Assignments>> C :: 177.914 CA :: 58.962(D) CB :: 31.738 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 :: 8.298(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 :: 121.782(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K316 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.15 R 0.12 E 0.11 H 0.1 K 0.09 M 0.07 V 0.06 Q 0.06 I 0.01 HN Overlap>> 1.E440 1.E440 C Shift Assignments>> C :: 178.778(D) CA :: 58.877(D) CB :: 31.18 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 :: 7.748(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 :: 122.931(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E317 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 H 0.11 R 0.11 Q 0.1 K 0.09 I 0.03 M 0.03 V 0.01 HN Overlap>> 1.R394 1.R394 C Shift Assignments>> C :: 178.197 CA :: 58.473 CB :: 29.872 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 :: 7.882 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 :: 118.605 Ave N Shift Values>> N :: 120.67(3.48) 1.T318 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.278 CA :: 61.738 CB :: 71.389 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 :: 7.432 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 :: 105.467 Ave N Shift Values>> N :: 115.42(4.75) 1.G319 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.682(D) CA :: 45.543(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.802(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.354(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A320 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.183 CA :: 52.312 CB :: 18.967 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.185 Ave N Shift Values>> N :: 123.23(3.54) 1.L321 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 L 0.28 D 0.1 K 0.09 F 0.07 C 0.05 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.74 CA :: 55.938(D) CB :: 43.095(D) 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 :: 7.705(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 :: 116.93(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L322 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.16 C 0.03 R 0.02 D 0.02 C Shift Assignments>> C :: 172.501(D) CA :: 53.195(D) CB :: 45.041 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.273(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 :: 121.283(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A323 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 C 0.23 P 0.23 A 0.08 G 0.06 K 0.04 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 175.695(D) CA :: 49.358(D) CB :: 24.03(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.591(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.887(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G324 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 169.48(D) CA :: 45.675(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.537(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.972(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E325 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.17 Q 0.16 K 0.16 H 0.08 R 0.08 W 0.04 E 0.02 HN Overlap>> 1.S295 1.S295 C Shift Assignments>> C :: 178.423 CA :: 53.943 CB :: 33.072 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 :: 8.016 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.9 Ave N Shift Values>> N :: 120.67(3.48) 1.M326 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 176.346 CA :: 56.31 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.546 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.249 Ave N Shift Values>> N :: 120.09(3.57) 1.S327 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G328 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.298 CA :: 44.49 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.265 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.449 Ave N Shift Values>> N :: 109.67(3.87) 1.H329 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 F 0.08 C 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 173.723 CA :: 57.375 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 :: 7.769 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.51 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V330 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 C 0.27 P 0.11 K 0.04 W 0.03 Q 0.02 M 0.01 I 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 174.229 CA :: 61.722 CB :: 33.411 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 :: 8.385 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 :: 125.118 Ave N Shift Values>> N :: 121.14(4.54) 1.F331 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.16 F 0.15 Y 0.13 N 0.13 C 0.08 K 0.03 I 0.01 C Shift Assignments>> C :: 174.176 CA :: 55.184 CB :: 40.28 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 :: 9.161 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 :: 127.335 Ave N Shift Values>> N :: 120.45(4.18) 1.F332 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.19 D 0.18 I 0.12 N 0.1 L 0.07 C 0.05 K 0.01 C Shift Assignments>> C :: 176.329 CB :: 40.197 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 :: 9.749 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.652 Ave N Shift Values>> N :: 120.45(4.18) 1.K333 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 Q 0.16 C 0.16 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 176.691 CA :: 55.74(D) CB :: 33.06(D) 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 :: 8.121(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 :: 123.9(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E334 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 K 0.14 Q 0.13 W 0.12 E 0.11 R 0.1 H 0.1 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 176.11 CA :: 57.795(D) CB :: 28.31(D) 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 :: 7.6(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 :: 122.682(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R335 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.13 W 0.13 Q 0.12 K 0.1 E 0.09 H 0.08 L 0.06 R 0.05 HN Overlap>> 1.D142 1.D142 C Shift Assignments>> C :: 174.101(D) CA :: 58.565(D) CB :: 27.75(D) 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 :: 8.858(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.982(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.W336 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 H 0.14 R 0.14 K 0.12 W 0.08 Q 0.05 E 0.05 C Shift Assignments>> C :: 176.524 CA :: 53.82(D) CB :: 31.85(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.773(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.13(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F337 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.2 F 0.1 C 0.07 K 0.07 Y 0.06 G 0.05 D 0.03 C Shift Assignments>> CA :: 57.84(D) CB :: 43.387(D) 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 :: 6.391(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 :: 119.797(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G338 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.108 CA :: 45.535 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.301 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.184 Ave N Shift Values>> N :: 109.67(3.87) 1.F339 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 N 0.29 L 0.12 F 0.1 Y 0.08 C 0.07 C Shift Assignments>> C :: 173.483 CA :: 53.851(D) CB :: 39.934(D) 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 :: 6.131(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 :: 111.31(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D340 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.46 C 0.18 E 0.08 Y 0.07 M 0.06 F 0.05 D 0.03 K 0.01 C Shift Assignments>> C :: 175.454 CA :: 53.36 CB :: 37.076 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 :: 10.504(S) 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 :: 120.088 Ave N Shift Values>> N :: 120.65(3.86) 1.D341 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.26 G 0.13 D 0.09 C 0.05 F 0.04 Y 0.02 K 0.01 HN Overlap>> 1.K312 1.K312 C Shift Assignments>> C :: 177.459 CA :: 54.767 CB :: 43.845 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 :: 7.624 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 :: 120.331 Ave N Shift Values>> N :: 120.65(3.86) 1.G342 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.609 CA :: 46.902 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.575 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.284 Ave N Shift Values>> N :: 109.67(3.87) 1.I343 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.2 I 0.14 P 0.03 HN Overlap>> 1.L226 1.L226 C Shift Assignments>> C :: 177.558 CA :: 65.222 CB :: 34.887 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 :: 8.53 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.501 Ave N Shift Values>> N :: 121.46(4.28) 1.Y344 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.23 Y 0.15 F 0.11 E 0.04 V 0.01 C Shift Assignments>> C :: 177.641 CA :: 61.302 CB :: 37.464 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 :: 8.801 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.226 Ave N Shift Values>> N :: 120.52(4.2) 1.S345 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.324 CB :: 62.963 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.799 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 :: 112.74 Ave N Shift Values>> N :: 116.28(3.52) 1.A346 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 C 0.02 HN Overlap>> 1.R443 1.R443 C Shift Assignments>> C :: 178.101 CA :: 54.703 CB :: 17.853 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.85 Ave N Shift Values>> N :: 123.23(3.54) 1.A347 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.24 I 0.03 C 0.01 C Shift Assignments>> C :: 178.577 CA :: 54.908 CB :: 16.651 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.763 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.242 Ave N Shift Values>> N :: 123.23(3.54) 1.R348 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.39 C 0.16 Q 0.12 K 0.08 H 0.07 W 0.06 E 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 180.175 CA :: 55.206(D) CB :: 26.685(D) 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 :: 7.979(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 :: 117.279(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.L349 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 D 0.08 I 0.07 K 0.03 N 0.01 C Shift Assignments>> C :: 177.555 CA :: 57.777 CB :: 40.224 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 :: 8.483 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 :: 123.105 Ave N Shift Values>> N :: 121.86(3.9) 1.L350 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.15 I 0.1 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 178.41(D) CA :: 57.824(D) CB :: 39.406(D) 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 :: 8.197(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 :: 121.303(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E351 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 I 0.12 E 0.1 R 0.08 H 0.07 K 0.07 Q 0.06 V 0.05 M 0.01 C Shift Assignments>> C :: 179.646(D) CA :: 60.241(D) CB :: 29.761 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 :: 7.993(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 :: 120.823(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I352 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.13 Y 0.03 F 0.03 HN Overlap>> 1.L293 1.L293 C Shift Assignments>> C :: 179.763(D) CA :: 65.085(D) CB :: 38.56 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 :: 7.57(D) 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 :: 120.45(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L353 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 K 0.05 I 0.04 N 0.02 C Shift Assignments>> C :: 180.475(D) CA :: 57.144(D) CB :: 40.373(D) 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 :: 8.785(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 :: 120.252(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S354 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.439 CA :: 60.729 CB :: 62.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.585 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.968 Ave N Shift Values>> N :: 116.28(3.52) 1.Q355 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.11 E 0.09 R 0.09 L 0.05 M 0.02 I 0.01 HN Overlap>> 1.I131 1.I131 1.I167 1.I167 C Shift Assignments>> CA :: 55.336 CB :: 28.55 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 :: 7.072 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 :: 120.007 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D356 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.07 D 0.05 C 0.03 F 0.01 C Shift Assignments>> C :: 175.103 CA :: 52.343 CB :: 44.422 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 :: 7.555 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 :: 124.355 Ave N Shift Values>> N :: 120.65(3.86) 1.Q357 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 C 0.12 H 0.12 W 0.11 R 0.1 E 0.1 L 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 177.316 CA :: 56.439 CB :: 28.408 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 :: 8.336 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 :: 123.723 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R358 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 M 0.13 C 0.12 W 0.11 Q 0.1 E 0.09 K 0.08 C Shift Assignments>> C :: 175.365 CA :: 54.985 CB :: 31.017 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 :: 9.037 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.177 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.D359 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.3 L 0.09 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.135 CA :: 52.291 CB :: 39.977 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 :: 8.025 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 :: 118.001 Ave N Shift Values>> N :: 120.65(3.86) 1.S360 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.875 CB :: 63.309 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.719 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 :: 117.398 Ave N Shift Values>> N :: 116.28(3.52) 1.E361 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.13 K 0.12 Q 0.11 R 0.1 I 0.1 E 0.1 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 179.268 CA :: 58.581 CB :: 28.258 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.622 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.199 Ave N Shift Values>> N :: 120.67(3.48) 1.H362 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 C 0.2 W 0.12 R 0.09 K 0.08 Q 0.07 E 0.07 H 0.05 L 0.02 P 0.01 C Shift Assignments>> C :: 177.672 CA :: 59.83 CB :: 28.032 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.352 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 :: 119.076 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V363 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 P 0.17 I 0.14 C 0.13 C Shift Assignments>> C :: 178.353 CA :: 66.542 CB :: 30.527 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 :: 8.322 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 :: 122.452 Ave N Shift Values>> N :: 121.14(4.54) 1.F364 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.16 Y 0.13 F 0.12 C Shift Assignments>> C :: 178.601 CA :: 62.442 CB :: 38.822 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.676 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 :: 113.932 Ave N Shift Values>> N :: 120.45(4.18) 1.S365 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.966 CB :: 62.51 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.332 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 :: 116.456 Ave N Shift Values>> N :: 116.28(3.52) 1.A366 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 M 0.21 C 0.01 C Shift Assignments>> C :: 178.386 CA :: 52.504(D) CB :: 18.022 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.792(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.692(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F367 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.29 C 0.18 Y 0.14 F 0.11 E 0.1 D 0.06 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 173.359 CA :: 54.914 CB :: 37.667 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.018(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 :: 118.329(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P368 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S369 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N450 1.N450 1.G24 1.G24 C Shift Assignments>> C :: 173.358 CA :: 57.179 CB :: 65.167 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.296 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 :: 116.58 Ave N Shift Values>> N :: 116.28(3.52) 1.D370 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.26 K 0.12 R 0.12 F 0.05 C 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.429 CA :: 53.574 CB :: 42.372 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 :: 8.182 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 :: 124.464 Ave N Shift Values>> N :: 120.65(3.86) 1.I371 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.25 Y 0.18 F 0.12 E 0.07 V 0.01 C Shift Assignments>> C :: 174.708 CA :: 60.583 CB :: 37.327 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 :: 8.538 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 :: 122.22 Ave N Shift Values>> N :: 121.46(4.28) 1.S372 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.03 C Shift Assignments>> C :: 175.125 CA :: 56.065 CB :: 66.139 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.214 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.321 Ave N Shift Values>> N :: 116.28(3.52) 1.T373 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> C :: 173.359 CA :: 59.586 CB :: 68.953 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 :: 8.152 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.333 Ave N Shift Values>> N :: 115.42(4.75) 1.P374 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E375 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 E 0.13 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 57.453 CB :: 28.963 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 :: 8.203 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 :: 119.999 Ave N Shift Values>> N :: 120.67(3.48) 1.I376 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 I 0.24 C 0.14 L 0.02 K 0.02 C Shift Assignments>> C :: 174.574 CA :: 60.195(D) CB :: 40.319 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 :: 8.943(D) 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 :: 129.048(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N377 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.31 L 0.14 C 0.06 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> C :: 174.942 CA :: 51.549 CB :: 40.853 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 :: 8.577 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 :: 125.864 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I378 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 I 0.26 C 0.14 L 0.02 K 0.01 C Shift Assignments>> C :: 175.42 CA :: 60.216 CB :: 40.171 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 :: 9.175 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 121.46(4.28) 1.T379 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.851 CA :: 64.463 CB :: 68.443 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 :: 8.738 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 :: 126.606 Ave N Shift Values>> N :: 115.42(4.75) 1.V380 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.15 W 0.1 M 0.1 R 0.1 V 0.09 H 0.08 E 0.07 Q 0.05 C Shift Assignments>> C :: 174.186 CA :: 58.762 CB :: 32.269 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 :: 8.312 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 :: 123.307 Ave N Shift Values>> N :: 121.14(4.54) 1.T381 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.716 CA :: 60.004 CB :: 70.994 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 :: 7.482 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 :: 111.304 Ave N Shift Values>> N :: 115.42(4.75) 1.E382 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 K 0.13 E 0.11 I 0.11 Q 0.11 H 0.09 R 0.07 L 0.01 M 0.01 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 178.075 CA :: 58.912 CB :: 28.595 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 :: 9.037 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.139 Ave N Shift Values>> N :: 120.67(3.48) 1.D383 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.18 Y 0.15 L 0.15 N 0.11 C 0.09 K 0.03 I 0.01 C Shift Assignments>> C :: 177.962 CA :: 55.553 CB :: 40.221 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 :: 8.168 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 :: 114.577 Ave N Shift Values>> N :: 120.65(3.86) 1.S384 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.38 CB :: 64.443 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.747 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 :: 115.595 Ave N Shift Values>> N :: 116.28(3.52) 1.K385 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.16 W 0.14 R 0.08 E 0.08 H 0.06 K 0.06 M 0.04 P 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 175.835 CA :: 60.321 CB :: 31.328 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 :: 7.49 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 :: 122.809 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F386 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.24 Y 0.2 F 0.13 E 0.08 M 0.01 C Shift Assignments>> C :: 178.361 CA :: 60.218 CB :: 37.467 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.563 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 :: 115.674 Ave N Shift Values>> N :: 120.45(4.18) 1.A387 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.02 C 0.01 C Shift Assignments>> C :: 181.219 CA :: 54.616 CB :: 17.348 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.492 Ave N Shift Values>> N :: 123.23(3.54) 1.I388 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.19 V 0.05 Y 0.03 F 0.02 HN Overlap>> 1.V147 1.V147 1.L452 1.L44 1.L452 1.L44 C Shift Assignments>> C :: 177.413 CA :: 64.913 CB :: 37.271 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 :: 8.447 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 :: 120.792 Ave N Shift Values>> N :: 121.46(4.28) 1.I389 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 C 0.33 I 0.08 P 0.03 K 0.02 E 0.02 Q 0.01 Y 0.01 M 0.01 W 0.01 C Shift Assignments>> C :: 177.878 CA :: 62.102 CB :: 34.559 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 :: 6.903 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 :: 118.648 Ave N Shift Values>> N :: 121.46(4.28) 1.E390 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 I 0.13 K 0.12 E 0.1 Q 0.09 H 0.08 R 0.06 M 0.01 L 0.01 V 0.01 HN Overlap>> 1.K445 1.Q451 1.K445 1.Q451 1.R164 1.R164 C Shift Assignments>> C :: 178.939 CA :: 59.344 CB :: 28.692 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 :: 8.147 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 :: 120.442 Ave N Shift Values>> N :: 120.67(3.48) 1.A391 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 180.841 CA :: 54.907 CB :: 18.091 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.954 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.384 Ave N Shift Values>> N :: 123.23(3.54) 1.L392 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.19 F 0.15 Y 0.11 D 0.1 R 0.08 C 0.06 I 0.01 HN Overlap>> 1.Q130 1.Q130 C Shift Assignments>> C :: 178.448 CA :: 56.998 CB :: 41.863 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 :: 8.316 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 :: 119.597 Ave N Shift Values>> N :: 121.86(3.9) 1.Q393 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 R 0.13 Q 0.13 K 0.12 W 0.12 E 0.09 H 0.09 I 0.06 L 0.05 M 0.01 HN Overlap>> 1.S423 1.S423 C Shift Assignments>> C :: 177.066 CA :: 57.786 CB :: 28.057 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 :: 8.081(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.438(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R394 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.13 K 0.13 M 0.12 W 0.12 H 0.11 E 0.1 Q 0.05 V 0.03 HN Overlap>> 1.E317 1.E317 C Shift Assignments>> C :: 177.129 CA :: 57.795 CB :: 31.675 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 :: 7.83 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 :: 118.588 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.D395 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.18 K 0.16 R 0.16 F 0.07 Y 0.04 C 0.04 N 0.01 C Shift Assignments>> C :: 176.737 CA :: 55.017 CB :: 42.436 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 :: 8.444 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 :: 118.28 Ave N Shift Values>> N :: 120.65(3.86) 1.A396 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 C Shift Assignments>> C :: 175.924 CA :: 52.202 CB :: 19.509 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.108 Ave N Shift Values>> N :: 123.23(3.54) 1.Q397 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.16 K 0.13 C 0.13 R 0.11 W 0.11 E 0.08 M 0.05 L 0.02 C Shift Assignments>> C :: 175.42 CA :: 53.849 CB :: 29.195 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 :: 7.258 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 :: 119.509 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W398 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.13 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 178.497 CA :: 55.792 CB :: 30.28 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.258 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.24 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G399 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.805 CA :: 46.108 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.654 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.548 Ave N Shift Values>> N :: 109.67(3.87) 1.E400 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G401 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.54 CA :: 44.705 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.723 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.71 Ave N Shift Values>> N :: 109.67(3.87) 1.N402 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.26 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.174 CA :: 52.125 CB :: 39.7 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 :: 8.498 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 :: 121.239 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I403 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.22 F 0.2 C 0.17 C Shift Assignments>> C :: 175.521 CA :: 60.838 CB :: 38.993 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 :: 8.905 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 :: 129.826 Ave N Shift Values>> N :: 121.46(4.28) 1.T404 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.786 CA :: 62.116 CB :: 69.935 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 :: 9.433 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 :: 125.749 Ave N Shift Values>> N :: 115.42(4.75) 1.T405 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L406 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.21 K 0.18 D 0.11 F 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 176.332 CA :: 56.302 CB :: 42.583 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 :: 6.451 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 :: 121.257 Ave N Shift Values>> N :: 121.86(3.9) 1.D407 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.21 L 0.17 F 0.07 Y 0.06 C 0.05 K 0.04 HN Overlap>> 1.I294 1.R137 1.I294 1.R137 C Shift Assignments>> C :: 175.035 CA :: 53.363 CB :: 40.699 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 :: 7.866 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 :: 118.147 Ave N Shift Values>> N :: 120.65(3.86) 1.G408 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.476 CA :: 45.094 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.375 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.067 Ave N Shift Values>> N :: 109.67(3.87) 1.V409 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 C 0.29 P 0.09 K 0.04 W 0.03 Q 0.03 M 0.02 I 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 173.217 CA :: 61.546(D) CB :: 33.483 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 :: 9.046(D) 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 :: 123.395(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R410 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.17 H 0.14 R 0.13 K 0.11 W 0.08 Q 0.05 E 0.04 C Shift Assignments>> C :: 174.132 CA :: 53.171(D) CB :: 31.881 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 :: 8.581(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.728(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.V411 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 C 0.27 K 0.08 W 0.07 P 0.06 R 0.04 M 0.04 H 0.03 Q 0.03 E 0.03 HN Overlap>> 1.M104 1.M104 C Shift Assignments>> C :: 174.322 CA :: 60.674 CB :: 32.62 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 :: 9.104 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.707 Ave N Shift Values>> N :: 121.14(4.54) 1.D412 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.25 D 0.15 G 0.07 C 0.04 K 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.044 CA :: 53.94 CB :: 43.364 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 :: 8.602 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 :: 126.001 Ave N Shift Values>> N :: 120.65(3.86) 1.Y413 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.2 E 0.2 F 0.14 N 0.05 I 0.05 M 0.05 D 0.01 K 0.01 C Shift Assignments>> C :: 174.451 CA :: 56.785 CB :: 37.35 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 :: 9.616 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 :: 125.521 Ave N Shift Values>> N :: 120.52(4.2) 1.P414 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K415 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 K 0.14 R 0.13 H 0.13 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 175.134 CA :: 54.652(D) CB :: 32.037 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 :: 8.377(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.34(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G416 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 170.14 CA :: 46.961 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.379 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.85 Ave N Shift Values>> N :: 109.67(3.87) 1.W417 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.14 C 0.14 R 0.14 H 0.13 W 0.09 E 0.07 Q 0.05 C Shift Assignments>> C :: 173.554 CA :: 55.429 CB :: 31.96 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.658 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.335 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G418 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.083 CA :: 44.95 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.596 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.126 Ave N Shift Values>> N :: 109.67(3.87) 1.L419 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.08 C 0.06 C Shift Assignments>> C :: 174.221(D) CA :: 53.151(D) CB :: 47.098(D) 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 :: 7.71(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 :: 123.39(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V420 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.16 V 0.13 Q 0.13 M 0.1 W 0.05 R 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 172.601 CA :: 59.149 CB :: 33.441 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 :: 8.964 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 :: 123.763 Ave N Shift Values>> N :: 121.14(4.54) 1.R421 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.16 K 0.15 Q 0.12 H 0.1 R 0.1 W 0.05 E 0.03 C Shift Assignments>> C :: 174.11 CA :: 53.985 CB :: 32.738 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 :: 8.801 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 :: 124.218 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.A422 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.06 C 0.01 HN Overlap>> 1.V121 1.V121 C Shift Assignments>> C :: 177.156(D) CA :: 50.617(D) CB :: 18.537(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.092(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.501(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S423 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q393 1.Q393 C Shift Assignments>> C :: 175.709 CA :: 57.023 CB :: 63.609 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.144 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 :: 116.408 Ave N Shift Values>> N :: 116.28(3.52) 1.N424 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T425 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T426 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P427 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V428 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.22 I 0.14 Y 0.12 F 0.06 M 0.04 V 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 175.486 CA :: 59.524 CB :: 36.235 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.837 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 :: 119.029 Ave N Shift Values>> N :: 121.14(4.54) 1.L429 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.19 G 0.08 C 0.04 K 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 175.21 CA :: 52.658 CB :: 43.107 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 :: 8.81 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 :: 122.266 Ave N Shift Values>> N :: 121.86(3.9) 1.V430 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 C 0.28 K 0.08 W 0.06 P 0.05 M 0.04 R 0.04 Q 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 176.163 CA :: 60.659 CB :: 32.827 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 :: 9.125 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 :: 122.918 Ave N Shift Values>> N :: 121.14(4.54) 1.L431 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 G 0.27 R 0.19 D 0.08 C 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 175.29 CA :: 54.227(D) CB :: 44.188 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.301(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 :: 128.441(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R432 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 Q 0.21 K 0.18 C 0.17 R 0.06 H 0.06 W 0.03 E 0.01 V 0.01 C Shift Assignments>> C :: 171.562 CA :: 55.52(D) CB :: 33.593(D) 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 :: 7.27(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 :: 118.309(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.F433 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.27 D 0.13 K 0.09 F 0.06 C 0.04 Y 0.03 G 0.03 C Shift Assignments>> C :: 173.669 CA :: 55.301 CB :: 43.071 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.131 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.446 Ave N Shift Values>> N :: 120.45(4.18) 1.E434 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.16 C 0.16 Q 0.13 R 0.1 H 0.1 W 0.05 E 0.03 HN Overlap>> 1.D25 1.A133 1.D25 1.A133 C Shift Assignments>> C :: 173.743 CA :: 54.564 CB :: 32.764 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 :: 7.846 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 :: 120.762 Ave N Shift Values>> N :: 120.67(3.48) 1.A435 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.29 C 0.15 K 0.04 C Shift Assignments>> C :: 176.386 CA :: 51.277 CB :: 22.991 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.862 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.434 Ave N Shift Values>> N :: 123.23(3.54) 1.D436 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.19 L 0.17 Y 0.16 C 0.08 K 0.08 N 0.05 I 0.02 C Shift Assignments>> C :: 176.8 CA :: 56.122 CB :: 40.643 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 :: 8.573 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 120.65(3.86) 1.T437 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.691 CA :: 58.426 CB :: 73.368 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 :: 7.301 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 :: 106.435 Ave N Shift Values>> N :: 115.42(4.75) 1.E438 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 I 0.17 W 0.14 K 0.11 E 0.09 Q 0.09 H 0.07 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 178.625 CA :: 59.536 CB :: 28.448 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 :: 9.228 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 :: 123.444 Ave N Shift Values>> N :: 120.67(3.48) 1.E439 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 I 0.17 W 0.14 K 0.11 E 0.09 Q 0.09 R 0.08 H 0.07 L 0.01 C Shift Assignments>> C :: 179.31 CA :: 59.485 CB :: 28.354 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 :: 8.682 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 :: 120.361 Ave N Shift Values>> N :: 120.67(3.48) 1.E440 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 Q 0.13 C 0.13 K 0.11 W 0.1 H 0.09 E 0.08 L 0.08 I 0.05 M 0.01 HN Overlap>> 1.K316 1.K316 C Shift Assignments>> C :: 177.879 CA :: 57.333 CB :: 27.875 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 :: 7.718 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 :: 122.918 Ave N Shift Values>> N :: 120.67(3.48) 1.L441 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.12 L 0.12 C 0.1 D 0.08 I 0.05 C Shift Assignments>> C :: 178.562 CA :: 57.909 CB :: 40.908 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 :: 8.037 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 :: 123.097 Ave N Shift Values>> N :: 121.86(3.9) 1.E442 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.14 Q 0.12 W 0.12 K 0.11 E 0.09 H 0.08 I 0.08 L 0.05 M 0.01 HN Overlap>> 1.F267 1.T31 1.F267 1.T31 C Shift Assignments>> C :: 179.139 CA :: 58.073 CB :: 27.99 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 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 :: 117.302 Ave N Shift Values>> N :: 120.67(3.48) 1.R443 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 I 0.11 E 0.11 K 0.1 H 0.08 Q 0.08 R 0.08 V 0.02 M 0.01 HN Overlap>> 1.A346 1.A346 C Shift Assignments>> C :: 179.161 CA :: 59.649 CB :: 29.272 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 :: 7.666 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 :: 123.842 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.I444 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.17 V 0.04 Y 0.02 F 0.01 HN Overlap>> 1.M315 1.M315 C Shift Assignments>> C :: 178.35 CA :: 65.603 CB :: 37.452 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 :: 8.21 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 :: 121.787 Ave N Shift Values>> N :: 121.46(4.28) 1.K445 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.17 W 0.13 R 0.08 E 0.07 K 0.07 H 0.06 M 0.04 P 0.03 Q 0.02 I 0.02 HN Overlap>> 1.Q451 1.E390 1.R164 1.Q451 1.E390 1.R164 C Shift Assignments>> C :: 178.748 CA :: 60.285 CB :: 31.496 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 :: 8.237 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 :: 120.402 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T446 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.667 CA :: 66.701 CB :: 68.036 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 :: 7.948 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.062 Ave N Shift Values>> N :: 115.42(4.75) 1.V447 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.14 H 0.12 W 0.1 P 0.1 E 0.09 M 0.08 V 0.06 K 0.06 Q 0.05 C Shift Assignments>> C :: 179.53 CB :: 31.14 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 :: 7.853 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 :: 123.23 Ave N Shift Values>> N :: 121.14(4.54) 1.F448 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.14 F 0.12 Y 0.12 C Shift Assignments>> C :: 177.989 CA :: 62.881 CB :: 39.475 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 :: 8.474 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 :: 119.544 Ave N Shift Values>> N :: 120.45(4.18) 1.R449 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 I 0.14 E 0.1 K 0.08 R 0.07 H 0.07 Q 0.06 V 0.04 M 0.01 C Shift Assignments>> C :: 178.634 CA :: 60.235 CB :: 29.539 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 :: 9.402 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.397 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.N450 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.17 Y 0.12 M 0.09 F 0.07 K 0.02 D 0.02 I 0.01 HN Overlap>> 1.S369 1.G24 1.S369 1.G24 C Shift Assignments>> C :: 178.869 CA :: 55.166 CB :: 36.876 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 :: 8.317 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 :: 116.645 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q451 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.19 C 0.15 Q 0.1 W 0.07 H 0.06 K 0.06 I 0.05 E 0.04 HN Overlap>> 1.K445 1.K445 1.E390 1.R164 1.E390 1.R164 C Shift Assignments>> C :: 178.434 CA :: 57.229 CB :: 26.805 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 :: 8.216 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 :: 120.45 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L452 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 C 0.12 I 0.09 L 0.08 K 0.07 D 0.05 HN Overlap>> 1.V147 1.I388 1.V147 1.I388 1.L44 1.L44 C Shift Assignments>> C :: 178.128 CA :: 58.387 CB :: 40.583 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 :: 8.365 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 :: 120.82 Ave N Shift Values>> N :: 121.86(3.9) 1.K453 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.14 H 0.13 W 0.12 E 0.12 M 0.11 K 0.1 Q 0.08 V 0.01 HN Overlap>> 1.E63 1.G148 1.E63 1.G148 C Shift Assignments>> C :: 178.063 CA :: 57.102 CB :: 31.208 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 :: 7.786 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 :: 116.442 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A454 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.43 C 0.01 HN Overlap>> 1.V22 1.V22 C Shift Assignments>> C :: 179.718 CA :: 53.57 CB :: 17.35 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.274 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.955 Ave N Shift Values>> N :: 123.23(3.54) 1.V455 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 V 0.32 C 0.14 I 0.05 W 0.02 HN Overlap>> 1.K171 1.K171 C Shift Assignments>> C :: 176.695 CA :: 63.719 CB :: 31.103 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 :: 7.253 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 :: 116.93 Ave N Shift Values>> N :: 121.14(4.54) 1.D456 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.16 F 0.08 Y 0.06 K 0.06 C 0.05 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 175.672 CA :: 53.833 CB :: 40.881 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 :: 7.721 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.663 Ave N Shift Values>> N :: 120.65(3.86) 1.S457 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.649 CA :: 60.372 CB :: 62.9 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.594 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 :: 122.113 Ave N Shift Values>> N :: 116.28(3.52) 1.S458 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.932 CA :: 58.541 CB :: 64.245 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.738 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.483 Ave N Shift Values>> N :: 116.28(3.52) 1.L459 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.11 N 0.07 R 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 175.54 CA :: 53.079 CB :: 42.031 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 :: 7.266 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 :: 127.379 Ave N Shift Values>> N :: 121.86(3.9) 1.P460 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V461 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P462 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F463 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.MG1 Overall Status: Residue type MG not supported. ########################################################################### Overall Results: #Consistent: 345 #Clerical: 116 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 407 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 56 Shift Relative Order (SRO) Results: #Consistent: 463 #Suspicious: 0 C Shift Results: #Consistent: 899 #Duplicate: 247 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 290 #Duplicate: 116 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 291 #Duplicate: 116 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R15 C = 175.82(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.7133e-01 1.R15 H = 7.855(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.2794e-01 1.R15 N = 124.622(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9900e-01 1.A16 C = 178.378(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6454e-01 1.A16 CA = 55.683(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9902e-01 1.A16 H = 7.765(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6845e-01 1.A16 N = 121.808(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8791e-01 1.R20 CA = 55.37(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4447e-01 1.R20 CB = 33.248(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.6382e-01 1.R20 H = 9.02(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.0101e-01 1.R20 N = 127.864(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.4913e-02 1.V23 C = 177.61(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9493e-01 1.V23 CA = 63.57(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0571e-01 1.V23 CB = 29.63(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.3301e-02 1.V23 H = 9.229(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6107e-01 1.V23 N = 134.05(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4605e-03 1.T26 C = 173.494(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.5230e-01 1.T26 CA = 60.691(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.5496e-01 1.T26 CB = 69.545(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.0964e-01 1.T26 H = 7.413(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.8225e-01 1.T26 N = 106.661(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5183e-02 1.L27 C = 174.03(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.3493e-01 1.L27 CA = 53.608(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4486e-01 1.L27 CB = 43.591(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9563e-01 1.L27 H = 7.581(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1806e-01 1.L27 N = 123.498(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7449e-01 1.T28 C = 174.725(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.1629e-01 1.T28 CA = 58.654(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6856e-01 1.T28 CB = 72.262(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2033e-01 1.T28 H = 8.077(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.9263e-01 1.T28 N = 116.203(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6907e-01 1.D56 C = 175.597(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.4634e-01 1.D56 CA = 51.126(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9146e-02 1.D56 CB = 39.854(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.2652e-01 1.D56 H = 7.634(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.4381e-01 1.D56 N = 118.373(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5526e-01 1.R58 C = 179.377(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.4386e-01 1.R58 CA = 57.208(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.4961e-01 1.R58 H = 7.439(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.8914e-01 1.R58 N = 120.866(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.8569e-01 1.L59 C = 178.493(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.4780e-01 1.L59 CA = 57.201(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5793e-01 1.L59 CB = 40.585(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5885e-01 1.L59 H = 9.649(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9030e-02 1.L59 N = 123.905(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0003e-01 1.S60 CA = 57.248(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.7702e-01 1.S60 CB = 63.865(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6497e-01 1.S60 H = 7.064(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.9301e-02 1.S60 N = 108.137(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.0703e-02 1.L64 C = 179.75(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6334e-01 1.L64 CA = 57.592(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5454e-01 1.L64 H = 7.864(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.7338e-01 1.L64 N = 117.714(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.8775e-01 1.D81 CA = 52.521(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8531e-01 1.D81 H = 9.156(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4467e-01 1.D81 N = 127.511(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5493e-02 1.M84 CA = 53.904(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.2255e-01 1.M84 H = 8.283(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.6942e-01 1.M84 N = 126.662(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.5637e-02 1.V85 C = 171.245(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.1300e-02 1.V85 CA = 56.95(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.2738e-02 1.V85 CB = 34.6(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9617e-01 1.V85 H = 8.501(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.5282e-01 1.V85 N = 119.106(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5414e-01 1.L90 C = 180.009(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2732e-01 1.L90 CA = 55.443(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.3377e-01 1.L90 CB = 39.119(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9632e-02 1.L90 H = 6.918(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3543e-02 1.L90 N = 125.875(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0325e-01 1.Y92 CA = 61.65(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.6080e-01 1.Y92 CB = 37.847(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.9527e-01 1.Y92 H = 8.348(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.6940e-01 1.Y92 N = 122.948(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.6320e-01 1.A93 CA = 55.133(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1414e-01 1.A93 H = 8.445(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8303e-01 1.A93 N = 125.69(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8711e-01 1.V103 H = 9.248(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5276e-01 1.V103 N = 122.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4777e-01 1.L105 C = 174.884(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8749e-01 1.L105 CA = 53.474(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1369e-01 1.L105 H = 9.056(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0381e-01 1.L105 N = 133.938(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9554e-03 1.T106 CA = 59.21(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.4517e-01 1.T106 CB = 69.199(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.4460e-01 1.T106 H = 8.107(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3014e-01 1.T106 N = 122.995(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1077e-01 1.Y114 CA = 57.284(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3608e-01 1.Y114 CB = 39.879(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.9579e-01 1.Y114 H = 7.983(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.4434e-01 1.Y114 N = 118.672(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.5994e-01 1.N115 C = 172.809(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.6917e-01 1.N115 CA = 51.585(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.9839e-01 1.N115 CB = 40.852(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.0079e-01 1.N115 H = 8.798(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.6724e-01 1.N115 N = 118.714(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5726e-01 1.G116 C = 170.721(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3934e-02 1.G116 CA = 46.811(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.7558e-01 1.G116 H = 8.608(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6887e-01 1.G116 N = 109.644(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9464e-01 1.F117 CA = 55.36(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.8989e-01 1.F117 H = 9.207(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.3944e-01 1.F117 N = 115.165(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0610e-01 1.K118 CA = 56.809(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4890e-01 1.K118 CB = 34.18(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.3486e-01 1.K118 H = 9.278(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.9781e-02 1.K118 N = 123.863(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5557e-01 1.I119 C = 173.458(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.1283e-01 1.I119 CA = 62.39(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.7102e-01 1.I119 CB = 41.911(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.0432e-01 1.I119 H = 8.47(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7993e-01 1.I119 N = 122.428(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2107e-01 1.V121 C = 175.68(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.7481e-01 1.V121 CA = 59.56(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.0561e-01 1.V121 CB = 33.03(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.6690e-01 1.V121 H = 9.04(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6297e-01 1.V121 N = 125.53(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3356e-01 1.A122 C = 176.561(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.7991e-01 1.A122 CA = 52.57(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7344e-01 1.A122 CB = 17.196(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2156e-01 1.A122 H = 9.071(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4659e-01 1.A122 N = 132.07(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2519e-02 1.G123 C = 173.548(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6401e-01 1.G123 CA = 44.771(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6568e-01 1.G123 H = 7.77(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8894e-01 1.G123 N = 103.191(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4099e-02 1.E124 CA = 54.313(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5022e-01 1.E124 H = 7.933(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0102e-01 1.E124 N = 123.864(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5872e-01 1.L126 C = 176.45(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8506e-01 1.L126 CA = 55.42(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.2519e-01 1.L126 CB = 41.486(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6117e-01 1.L126 H = 8.301(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1302e-01 1.L126 N = 127.78(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2903e-01 1.A127 CA = 50.61(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0133e-01 1.A127 CB = 23.353(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7634e-02 1.A127 H = 8.23(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A127 N = 122.563(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5055e-01 1.N128 C = 177.909(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.4040e-01 1.N128 CA = 55.268(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.5802e-01 1.N128 CB = 37.643(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.3557e-01 1.N128 H = 10.264(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.2584e-03 1.N128 N = 119.483(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.9086e-01 1.I131 CA = 63.667(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4276e-01 1.I131 CB = 36.404(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.7047e-01 1.I131 H = 7.005(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0793e-02 1.I131 N = 119.998(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3266e-01 1.A133 CB = 17.227(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2990e-01 1.A133 H = 7.868(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8004e-01 1.A133 N = 120.838(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9923e-01 1.D142 C = 174.777(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.5370e-01 1.D142 CA = 52.115(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0463e-01 1.D142 CB = 39.199(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9943e-01 1.D142 H = 8.767(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3074e-01 1.D142 N = 122.94(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5300e-01 1.F160 CA = 60.071(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.3851e-01 1.F160 H = 8.613(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2530e-01 1.F160 N = 118.688(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7337e-01 1.I167 C = 174.673(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.3986e-01 1.I167 CA = 57.675(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4203e-01 1.I167 H = 7.084(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8608e-02 1.I167 N = 119.94(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2248e-01 1.K174 C = 175.857(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.9543e-01 1.K174 CA = 54.83(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.3523e-01 1.K174 H = 9.776(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2094e-03 1.K174 N = 126.805(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2688e-01 1.V177 CA = 60.224(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2818e-01 1.V177 H = 8.251(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5358e-01 1.V177 N = 128.441(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0780e-01 1.D178 CA = 51.155(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1617e-02 1.D178 H = 9.368(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8131e-02 1.D178 N = 127.276(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6056e-02 1.C179 CA = 59.986(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.1264e-01 1.C179 CB = 28.388(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.9490e-01 1.C179 H = 7.291(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.0094e-01 1.C179 N = 120.673(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.1367e-01 1.G180 C = 171.066(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.3583e-01 1.G180 CA = 47.903(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6751e-02 1.G180 H = 10.119(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9177e-03 1.G180 N = 117.76(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6578e-02 1.N181 C = 175.075(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.1325e-01 1.N181 CA = 56.317(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3964e-01 1.N181 CB = 38.762(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.6602e-01 1.N181 H = 9.242(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.5222e-01 1.N181 N = 107.047(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.1918e-03 1.G182 C = 174.428(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.6661e-01 1.G182 CA = 44.011(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.1767e-01 1.G182 H = 8.45(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5353e-01 1.G182 N = 105.925(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3319e-01 1.V183 CA = 62.602(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6876e-01 1.V183 CB = 32.323(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.2013e-01 1.V183 H = 8.136(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1821e-01 1.V183 N = 117.687(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4691e-01 1.A184 C = 178.544(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0583e-01 1.A184 CA = 54.858(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8557e-01 1.A184 CB = 16.488(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6816e-01 1.A184 H = 8.576(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3088e-01 1.A184 N = 124.044(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1814e-01 1.G185 CA = 46.529(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7894e-01 1.G185 H = 8.281(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3991e-01 1.G185 N = 106.83(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6304e-01 1.V186 C = 175.012(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4897e-01 1.V186 CA = 61.989(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6094e-01 1.V186 CB = 31.296(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.2306e-01 1.V186 H = 7.369(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6925e-01 1.V186 N = 112.73(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3965e-02 1.A188 C = 174.54(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3301e-01 1.A188 CA = 56.62(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8820e-02 1.A188 CB = 15.512(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5944e-02 1.A188 H = 8.565(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4297e-01 1.A188 N = 123.864(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5786e-01 1.L191 C = 177.27(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.8754e-01 1.L191 CA = 57.299(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3054e-01 1.L191 CB = 41.084(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.1432e-01 1.L191 H = 8.598(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.7129e-01 1.L191 N = 123.821(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1509e-01 1.I192 CA = 65.313(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6706e-01 1.I192 CB = 36.582(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.1065e-01 1.I192 H = 8.06(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.4629e-01 1.I192 N = 119.026(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6957e-01 1.L195 C = 176.814(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.2917e-01 1.L195 CA = 55.397(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1662e-01 1.L195 CB = 40.792(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1941e-01 1.L195 H = 7.641(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6485e-01 1.L195 N = 117.263(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3851e-01 1.D207 CA = 53.37(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.1553e-01 1.D207 CB = 41.31(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9068e-01 1.D207 H = 8.548(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8155e-01 1.D207 N = 128.877(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.3061e-02 1.F210 C = 172.851(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.9672e-01 1.F210 CA = 57.061(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.9174e-01 1.F210 CB = 37.102(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.6703e-01 1.F210 H = 8.01(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2689e-01 1.F210 N = 113.104(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.8847e-02 1.G218 C = 173.721(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3683e-01 1.G218 CA = 45.067(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3274e-01 1.G218 H = 7.769(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8810e-01 1.G218 N = 105.86(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2487e-01 1.K219 C = 175.181(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.6570e-01 1.K219 CA = 51.675(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6497e-02 1.K219 CB = 32.197(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.3902e-01 1.K219 H = 6.63(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3224e-03 1.K219 N = 120.714(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2898e-01 1.N222 C = 175.52(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.8893e-01 1.N222 CA = 53.429(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.5292e-01 1.N222 CB = 37.193(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.7573e-01 1.N222 H = 7.762(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.5890e-01 1.N222 N = 117.566(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.3502e-01 1.G238 CA = 44.216(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9740e-01 1.G238 H = 8.998(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0409e-01 1.G238 N = 111.22(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8878e-01 1.L239 CA = 52.13(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0132e-01 1.L239 H = 8.738(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3449e-01 1.L239 N = 124.089(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6763e-01 1.A240 C = 175.755(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.5138e-01 1.A240 CA = 48.46(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8097e-02 1.A240 CB = 21.299(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1100e-01 1.A240 H = 8.641(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6234e-01 1.A240 N = 124.928(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3147e-01 1.G249 C = 171.904(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.9568e-01 1.G249 CA = 42.968(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5468e-02 1.G249 H = 9.17(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9625e-01 1.G249 N = 115.113(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5959e-01 1.V250 C = 173.854(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.5264e-01 1.V250 CA = 60.972(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9558e-01 1.V250 CB = 34.423(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4425e-01 1.V250 H = 8.185(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7547e-01 1.V250 N = 123.357(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2532e-01 1.T252 C = 174.75(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.0502e-01 1.T252 CA = 60.49(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.0416e-01 1.T252 H = 8.467(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1427e-01 1.T252 N = 113.465(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8065e-01 1.I257 C = 174.628(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.2448e-01 1.I257 CA = 62.071(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.6343e-01 1.I257 CB = 37.812(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.8551e-01 1.I257 H = 8.294(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8357e-01 1.I257 N = 128.684(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1440e-02 1.I258 C = 175.736(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.5265e-01 1.I258 CA = 56.078(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.9001e-02 1.I258 CB = 33.93(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.9979e-02 1.I258 H = 7.993(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.7298e-01 1.I258 N = 130.369(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7384e-02 1.Y259 CA = 57.491(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.9905e-01 1.Y259 CB = 36.223(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.5163e-01 1.Y259 H = 8.514(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.9043e-01 1.Y259 N = 129.59(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.0810e-02 1.D261 C = 176.48(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.6354e-01 1.D261 CA = 56.022(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.1172e-01 1.D261 CB = 38.17(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4359e-02 1.D261 H = 8.491(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.5499e-01 1.D261 N = 115.129(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5263e-01 1.R262 CA = 58.005(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9290e-01 1.R262 CB = 29.229(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2150e-01 1.R262 H = 7.381(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.5907e-01 1.R262 N = 124.22(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.5271e-01 1.L263 CB = 40.019(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.2299e-01 1.L263 H = 7.44(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2422e-01 1.L263 N = 120.745(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7496e-01 1.M265 CA = 59.694(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.0802e-01 1.M265 H = 7.317(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.1603e-01 1.M265 N = 118.508(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.5767e-01 1.L266 C = 179.428(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1821e-01 1.L266 CA = 57.612(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4968e-01 1.L266 CB = 41.071(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.0987e-01 1.L266 H = 6.67(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6395e-02 1.L266 N = 119.459(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3813e-01 1.A268 C = 178.161(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4332e-01 1.A268 CA = 54.912(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7081e-01 1.A268 CB = 17.268(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.4114e-01 1.A268 H = 9.332(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9205e-02 1.A268 N = 122.097(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4893e-01 1.D270 CA = 57.981(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.0498e-01 1.D270 H = 7.221(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.0438e-02 1.D270 N = 119.18(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0333e-01 1.V271 C = 179.635(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.4587e-02 1.V271 CA = 66.47(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6404e-01 1.V271 CB = 31.542(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.0689e-01 1.V271 H = 8.644(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.9725e-01 1.V271 N = 118.637(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8141e-01 1.V272 C = 177.633(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.8938e-01 1.V272 CA = 64.799(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1947e-01 1.V272 CB = 30.006(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2806e-01 1.V272 H = 8.902(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6102e-01 1.V272 N = 119.102(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5350e-01 1.S273 CA = 61.904(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2401e-01 1.S273 CB = 62.461(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.6561e-01 1.S273 H = 7.42(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4494e-01 1.S273 N = 116.036(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4474e-01 1.R274 C = 175.36(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.0499e-01 1.R274 CA = 56.4(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.7274e-01 1.R274 CB = 32.07(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.5408e-01 1.R274 H = 6.655(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3670e-03 1.R274 N = 118.285(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9434e-01 1.N275 C = 169.25(S), Expected = 175.27, Std = 1.7900, ChiSquare = 7.7064e-04 1.D279 CA = 53.807(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6358e-01 1.D279 H = 8.192(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3878e-01 1.D279 N = 121.65(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9558e-01 1.I280 C = 174.702(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.4990e-01 1.I280 CA = 57.814(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5665e-01 1.I280 CB = 38.43(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2113e-01 1.I280 H = 8.031(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.1423e-01 1.I280 N = 121.895(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1905e-01 1.I281 CA = 58.677(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.7378e-01 1.I281 CB = 38.427(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.1995e-01 1.I281 H = 7.891(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.6728e-01 1.I281 N = 126.361(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5217e-01 1.F282 C = 173.86(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.3309e-01 1.F282 CA = 54.67(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.8456e-01 1.F282 CB = 39.63(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.6324e-01 1.F282 H = 7.799(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.3588e-01 1.F282 N = 123.683(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.3926e-01 1.D283 C = 177.81(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.2041e-01 1.D283 CA = 52.79(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4929e-01 1.D283 CB = 43.99(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.4889e-02 1.D283 H = 7.459(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4231e-01 1.D283 N = 118.18(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2224e-01 1.A292 C = 180.607(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7830e-01 1.A292 CA = 54.014(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5891e-01 1.A292 CB = 17.812(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1270e-01 1.A292 H = 7.106(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8253e-02 1.A292 N = 120.354(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1655e-01 1.I294 C = 178.439(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.7752e-01 1.I294 CA = 65.666(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3017e-01 1.I294 CB = 37.363(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.3051e-01 1.I294 H = 7.928(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0470e-01 1.I294 N = 118.23(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5045e-01 1.S295 CA = 61.232(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2493e-01 1.S295 CB = 62.59(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1360e-01 1.S295 H = 7.968(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.9693e-01 1.S295 N = 114.939(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0323e-01 1.M315 CA = 58.962(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.0092e-01 1.M315 H = 8.298(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.4950e-01 1.M315 N = 121.782(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.3554e-01 1.K316 C = 178.778(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.8507e-01 1.K316 CA = 58.877(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8108e-01 1.K316 H = 7.748(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.6133e-01 1.K316 N = 122.931(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1782e-01 1.G319 C = 174.682(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6580e-01 1.G319 CA = 45.543(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8548e-01 1.G319 H = 7.802(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1662e-01 1.G319 N = 111.354(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6346e-01 1.L321 CA = 55.938(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8132e-01 1.L321 CB = 43.095(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7627e-01 1.L321 H = 7.705(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1927e-01 1.L321 N = 116.93(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0619e-01 1.L322 C = 172.501(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3380e-02 1.L322 CA = 53.195(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5491e-01 1.L322 H = 7.273(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4094e-01 1.L322 N = 121.283(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8238e-01 1.A323 C = 175.695(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.3701e-01 1.A323 CA = 49.358(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.6120e-02 1.A323 CB = 24.03(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.0849e-03 1.A323 H = 8.591(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1462e-01 1.A323 N = 126.887(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0158e-01 1.G324 C = 169.48(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.9538e-02 1.G324 CA = 45.675(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0836e-01 1.G324 H = 8.537(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.5013e-01 1.G324 N = 106.972(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8570e-01 1.K333 CA = 55.74(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.8232e-01 1.K333 CB = 33.06(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7944e-01 1.K333 H = 8.121(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0845e-01 1.K333 N = 123.9(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4967e-01 1.E334 CA = 57.795(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.2021e-01 1.E334 CB = 28.31(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.2297e-01 1.E334 H = 7.6(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1598e-01 1.E334 N = 122.682(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6316e-01 1.R335 C = 174.101(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.5535e-01 1.R335 CA = 58.565(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.3713e-01 1.R335 CB = 27.75(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.0696e-01 1.R335 H = 8.858(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1101e-01 1.R335 N = 122.982(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.5322e-01 1.W336 CA = 53.82(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.3665e-01 1.W336 CB = 31.85(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.5997e-01 1.W336 H = 7.773(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.1283e-01 1.W336 N = 122.13(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.1427e-01 1.F337 CA = 57.84(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.2560e-01 1.F337 CB = 43.387(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.0409e-01 1.F337 H = 6.391(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2433e-03 1.F337 N = 119.797(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.7586e-01 1.F339 CA = 53.851(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.9861e-02 1.F339 CB = 39.934(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.7862e-01 1.F339 H = 6.131(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.9626e-03 1.F339 N = 111.31(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.8772e-02 1.D340 H = 10.504(S), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5510e-04 1.R348 CA = 55.206(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.9837e-01 1.R348 CB = 26.685(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.8236e-02 1.R348 H = 7.979(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6875e-01 1.R348 N = 117.279(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.3867e-01 1.L350 C = 178.41(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7327e-01 1.L350 CA = 57.824(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0079e-01 1.L350 CB = 39.406(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2242e-01 1.L350 H = 8.197(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5951e-01 1.L350 N = 121.303(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8643e-01 1.E351 C = 179.646(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.5457e-01 1.E351 CA = 60.241(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6223e-01 1.E351 H = 7.993(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6787e-01 1.E351 N = 120.823(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6493e-01 1.I352 C = 179.763(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1548e-02 1.I352 CA = 65.085(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9475e-01 1.I352 H = 7.57(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.9643e-01 1.I352 N = 120.45(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1345e-01 1.L353 C = 180.475(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8391e-02 1.L353 CA = 57.144(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7430e-01 1.L353 CB = 40.373(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0286e-01 1.L353 H = 8.785(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9319e-01 1.L353 N = 120.252(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8011e-01 1.A366 CA = 52.504(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4805e-01 1.A366 H = 6.792(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8942e-02 1.A366 N = 122.692(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7920e-01 1.F367 H = 7.018(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2338e-02 1.F367 N = 118.329(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.1186e-01 1.I376 CA = 60.195(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.9751e-01 1.I376 H = 8.943(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.2956e-01 1.I376 N = 129.048(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6246e-02 1.Q393 H = 8.081(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1375e-01 1.Q393 N = 116.438(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.3761e-01 1.V409 CA = 61.546(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.4135e-01 1.V409 H = 9.046(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5917e-01 1.V409 N = 123.395(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1940e-01 1.R410 CA = 53.171(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.1923e-01 1.R410 H = 8.581(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7615e-01 1.R410 N = 129.728(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5263e-02 1.K415 CA = 54.652(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.9623e-01 1.K415 H = 8.377(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5529e-01 1.K415 N = 112.34(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0869e-02 1.L419 C = 174.221(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6197e-01 1.L419 CA = 53.151(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4639e-01 1.L419 CB = 47.098(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0871e-02 1.L419 H = 7.71(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2371e-01 1.L419 N = 123.39(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9483e-01 1.A422 C = 177.156(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.8395e-01 1.A422 CA = 50.617(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0258e-01 1.A422 CB = 18.537(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9604e-01 1.A422 H = 9.092(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3710e-01 1.A422 N = 125.501(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2118e-01 1.L431 CA = 54.227(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.1312e-01 1.L431 H = 9.301(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9416e-02 1.L431 N = 128.441(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1520e-02 1.R432 CA = 55.52(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.8842e-01 1.R432 CB = 33.593(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.1391e-01 1.R432 H = 7.27(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.1180e-01 1.R432 N = 118.309(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9847e-01