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.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 C Shift Assignments>> C :: 177.888 CA :: 52.716 CB :: 19.404 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.238 HA :: 4.241 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.426 Ave N Shift Values>> N :: 123.23(3.54) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.1 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 176.051 CA :: 54.205 CB :: 41.149 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 :: 8.301 HA :: 4.517 HB2 :: 2.581 HB3 :: 2.581 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 :: 118.321 Ave N Shift Values>> N :: 120.65(3.86) 1.N4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.65 D 0.21 C 0.12 C Shift Assignments>> C :: 175.106(D) CA :: 53.360(D) CB :: 38.782(D) CG :: 177.137 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 :: 8.176 HA :: 4.625(D) HB2 :: 2.721(D) HB3 :: 2.645(D) HD21 :: 7.470 HD22 :: 6.816 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 :: 118.384 ND2 :: 112.259 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F5 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 0.12 D 0.04 L 0.04 N 0.01 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> C :: 175.870(D) CA :: 58.138(D) CB :: 39.386(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 :: 8.155(D) HA :: 4.583(D) HB2 :: 3.159(D) HB3 :: 3.037(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.324(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.462(D) CA :: 58.398(D) CB :: 63.927(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.158(D) HA :: 4.390(D) HB2 :: 3.805(D) HB3 :: 3.805(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.964(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.63 C 0.3 R 0.04 G 0.01 A 0.01 HN Overlap>> 1.A33 1.A33 C Shift Assignments>> C :: 177.286(D) CA :: 55.637(D) CB :: 42.264(D) CG :: 27.040(D) CD1 :: 24.943(D) CD2 :: 23.710(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 :: 8.097(D) HA :: 4.252(D) HB2 :: 1.546(D) HB3 :: 1.509(D) HG :: 1.539 HD11 :: 0.896(D) HD12 :: 0.896(D) HD13 :: 0.896(D) HD21 :: 0.840(D) HD22 :: 0.840(D) HD23 :: 0.840(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 :: 123.605(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 E 0.13 W 0.13 C 0.13 Q 0.11 M 0.08 K 0.07 C Shift Assignments>> C :: 175.317 CA :: 56.647 CB :: 30.588 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 :: 8.115 HA :: 4.530 HB2 :: 3.116 HB3 :: 3.042 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.959 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.413 CA :: 54.586 CB :: 41.267 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 :: 8.134 HA :: 4.528 HB2 :: 2.654 HB3 :: 2.599 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 :: 121.228 Ave N Shift Values>> N :: 120.65(3.86) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 178.269 CA :: 53.249 CB :: 19.103 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.229 HA :: 4.244 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.125 Ave N Shift Values>> N :: 123.23(3.54) 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.03 A 0.01 G 0.01 HN Overlap>> 1.N16 1.Y107 1.N16 1.Y107 C Shift Assignments>> C :: 177.948(D) CA :: 55.449(D) CB :: 42.144(D) CG :: 27.053(D) CD1 :: 24.952(D) CD2 :: 23.404(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 :: 8.149 HA :: 4.342(D) HB2 :: 1.698(D) HB3 :: 1.602(D) HG :: 1.620(D) HD11 :: 0.897(D) HD12 :: 0.897(D) HD13 :: 0.897(D) HD21 :: 0.847(D) HD22 :: 0.847(D) HD23 :: 0.847(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 Ave N Shift Values>> N :: 121.86(3.9) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.291(D) CA :: 58.913(D) CB :: 63.860 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.066 HA :: 4.397 HB2 :: 3.878 HB3 :: 3.878 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 :: 115.475 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 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 :: 174.449 CA :: 45.557 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.305 HA2 :: 3.992 HA3 :: 3.992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.617 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.999 CA :: 58.670 CB :: 63.977 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.181 HA :: 4.444 HB2 :: 3.893 HB3 :: 3.859 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 :: 115.370 Ave N Shift Values>> N :: 116.28(3.52) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.448 CA :: 45.200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.380 HA2 :: 3.921 HA3 :: 3.921 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.280 Ave N Shift Values>> N :: 109.67(3.87) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.13 C 0.06 HN Overlap>> 1.L11 1.L11 1.Y107 1.Y107 C Shift Assignments>> C :: 173.424 CA :: 51.193 CB :: 38.930 CG :: 176.973 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 :: 8.160 HA :: 4.924 HB2 :: 2.787 HB3 :: 2.625 HD21 :: 7.536 HD22 :: 6.879 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 :: 119.427 ND2 :: 112.496 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.287(D) CA :: 63.340(D) CB :: 32.142(D) CG :: 26.970 CD :: 50.721 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.392(D) HB2 :: 2.196(D) HB3 :: 1.887(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.113 Ave N Shift Values>> N :: 134.16(6.62) 1.N18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.77 D 0.15 C 0.07 HN Overlap>> 1.Q20 1.Q20 C Shift Assignments>> C :: 173.343 CA :: 51.376(D) CB :: 38.857(D) CG :: 177.122 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 :: 8.327(D) HA :: 4.900(D) HB2 :: 2.724 HB3 :: 2.620 HD21 :: 7.499 HD22 :: 6.892 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 :: 118.870(D) ND2 :: 112.621 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.057(D) CA :: 63.715(D) CB :: 32.041(D) CG :: 27.189(D) CD :: 50.501 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.288(D) HB2 :: 2.179(D) HB3 :: 1.867(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.939 Ave N Shift Values>> N :: 134.16(6.62) 1.Q20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.47 C 0.37 E 0.14 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 176.387(D) CA :: 56.105(D) CB :: 29.226(D) CG :: 34.006(D) CD :: 180.393 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 :: 8.309(D) HA :: 4.238(D) HB2 :: 2.033(D) HB3 :: 1.893(D) HG2 :: 2.294(D) HG3 :: 2.294(D) HE21 :: 7.420 HE22 :: 6.802 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 :: 118.856(D) NE2 :: 111.999 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 HN Overlap>> 1.G47 1.G47 C Shift Assignments>> C :: 173.353(D) CA :: 45.246(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.109(D) HA2 :: 3.858(D) HA3 :: 3.858(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.956(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.14 R 0.11 W 0.11 C 0.11 E 0.1 M 0.04 L 0.01 C Shift Assignments>> C :: 174.651(D) CA :: 54.963(D) CB :: 29.266(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 :: 7.952(D) HA :: 4.906(D) HB2 :: 3.241(D) HB3 :: 3.119(D) HD1 :: 7.174 HE1 :: 10.096(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 :: 122.077(D) NE1 :: 129.490(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.202(D) CA :: 63.596(D) CB :: 31.785(D) CG :: 27.216(D) CD :: 50.828(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.261(D) HB2 :: 2.095(D) HB3 :: 1.734(D) HG2 :: 1.462 HG3 :: 1.341 HD2 :: 3.380 HD3 :: 3.119 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.065(D) Ave N Shift Values>> N :: 134.16(6.62) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.992(D) CA :: 45.302(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.564(D) HA2 :: 3.670(D) HA3 :: 3.670(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.033(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 HN Overlap>> 1.A53 1.A44 1.A53 1.A44 C Shift Assignments>> C :: 177.514 CA :: 52.663 CB :: 19.165 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.867 HA :: 4.231 HB1 :: 1.198 HB2 :: 1.198 HB3 :: 1.198 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.654 Ave N Shift Values>> N :: 123.23(3.54) 1.W26 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 K 0.12 R 0.12 M 0.04 I 0.02 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 176.758(D) CA :: 57.267(D) CB :: 29.586(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 :: 7.983 HA :: 4.631(D) HB2 :: 3.286(D) HB3 :: 3.157(D) HD1 :: 7.132 HE1 :: 10.079(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 :: 119.345(D) NE1 :: 129.105 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G72 1.G72 C Shift Assignments>> C :: 173.765 CA :: 45.486 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.073(D) HA2 :: 3.887 HA3 :: 3.806 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.308(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.51 D 0.18 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.825(D) CA :: 53.125(D) CB :: 38.924(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 :: 8.179 HA :: 4.664(D) HB2 :: 2.765(D) HB3 :: 2.680(D) HD21 :: 7.484 HD22 :: 6.856 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 :: 118.268 ND2 :: 112.190 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.62 C 0.33 E 0.04 HN Overlap>> 1.M249 1.M249 C Shift Assignments>> C :: 173.836(D) CA :: 53.824(D) CB :: 28.947(D) CG :: 33.472 CD :: 180.338 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 :: 8.190(D) HA :: 4.500(D) HB2 :: 2.026 HB3 :: 1.855 HG2 :: 2.276 HG3 :: 2.276 HE21 :: 7.374 HE22 :: 6.747 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 :: 120.933(D) NE2 :: 111.842 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.635 CA :: 63.172 CB :: 32.079 CG :: 27.401 CD :: 50.618 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.346 HB2 :: 2.215 HB3 :: 1.855 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.023 Ave N Shift Values>> N :: 134.16(6.62) 1.A31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 178.333(D) CA :: 52.730(D) CB :: 19.184(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.337 HA :: 4.212(D) HB1 :: 1.324(D) HB2 :: 1.324(D) HB3 :: 1.324(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.948 Ave N Shift Values>> N :: 123.23(3.54) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.041(D) CA :: 45.297(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.232(D) HA2 :: 3.898 HA3 :: 3.898 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.983(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.86 M 0.09 C 0.02 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 178.164(D) CA :: 52.703(D) CB :: 19.356(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.099 HA :: 4.293(D) HB1 :: 1.357(D) HB2 :: 1.357(D) HB3 :: 1.357(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.561 Ave N Shift Values>> N :: 123.23(3.54) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.410(D) CA :: 45.348(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.331(D) HA2 :: 3.892(D) HA3 :: 3.892(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.625(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.208(D) CA :: 44.957(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.039(D) HA2 :: 3.841(D) HA3 :: 3.841(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.759(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 F 0.19 N 0.17 C 0.16 D 0.11 L 0.04 E 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 174.311(D) CA :: 55.780(D) CB :: 38.538(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 :: 7.981(D) HA :: 4.719(D) HB2 :: 2.952(D) HB3 :: 2.822(D) HD1 :: 7.034 HD2 :: 7.034 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.985(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.126 CA :: 63.676 CB :: 31.824 CG :: 27.394 CD :: 50.625 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.339 HB2 :: 2.150 HB3 :: 1.865 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.244(D) Ave N Shift Values>> N :: 134.16(6.62) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 HN Overlap>> 1.G43 1.G47 1.G43 1.G47 C Shift Assignments>> C :: 173.807 CA :: 45.253 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.966 HA2 :: 3.871 HA3 :: 3.871 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.852 Ave N Shift Values>> N :: 109.67(3.87) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 L 0.01 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> C :: 177.337 CA :: 52.435 CB :: 19.598 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.948 HA :: 4.285 HB1 :: 1.287 HB2 :: 1.287 HB3 :: 1.287 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.003 Ave N Shift Values>> N :: 123.23(3.54) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.395(D) CA :: 58.023(D) CB :: 64.071(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.118 HA :: 4.424(D) HB2 :: 3.752(D) HB3 :: 3.752(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 :: 114.243 Ave N Shift Values>> N :: 116.28(3.52) 1.Y41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 F 0.18 N 0.18 C 0.16 D 0.11 L 0.04 E 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 174.018(D) CA :: 55.705(D) CB :: 38.560(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 :: 8.035(D) HA :: 4.740(D) HB2 :: 2.971 HB3 :: 2.820 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 :: 122.518(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.45 V 0.37 C 0.12 W 0.02 I 0.01 C Shift Assignments>> C :: 177.072 CA :: 63.681 CB :: 31.815 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) N Shift Assignments>> N :: 137.090 Ave N Shift Values>> N :: 134.16(6.62) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 HN Overlap>> 1.G47 1.G38 1.G47 1.G38 C Shift Assignments>> C :: 173.477 CA :: 45.213 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.967 HA2 :: 3.867 HA3 :: 3.867 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.851 Ave N Shift Values>> N :: 109.67(3.87) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 L 0.01 HN Overlap>> 1.A53 1.A53 1.A25 1.A25 C Shift Assignments>> C :: 176.847 CA :: 52.284 CB :: 19.659 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.876 HA :: 4.248 HB1 :: 1.221 HB2 :: 1.221 HB3 :: 1.221 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.749 Ave N Shift Values>> N :: 123.23(3.54) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 N 0.19 F 0.18 C 0.16 D 0.1 L 0.04 E 0.03 I 0.03 M 0.01 HN Overlap>> 1.Y54 1.Y54 C Shift Assignments>> C :: 174.120 CA :: 55.655 CB :: 38.455 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.064 HA :: 4.753 HB2 :: 3.018 HB3 :: 2.816 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.020 Ave N Shift Values>> N :: 120.52(4.2) 1.P46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.61 P 0.37 C Shift Assignments>> C :: 176.390(D) CA :: 63.670(D) CB :: 31.831(D) CG :: 24.436(D) CD :: 49.874 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.343(D) HB2 :: 2.174(D) HB3 :: 1.884(D) HG2 :: 1.681 HG3 :: 1.681 HD2 :: 3.470 HD3 :: 3.309 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.542 Ave N Shift Values>> N :: 134.16(6.62) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G43 1.G21 1.G43 1.G21 1.G38 1.G38 C Shift Assignments>> C :: 173.916(D) CA :: 45.354(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.023(D) HA2 :: 3.876(D) HA3 :: 3.876(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.908(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.36 E 0.13 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 175.257 CA :: 55.681 CB :: 29.807 CG :: 33.896 CD :: 180.517 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 :: 8.009 HA :: 4.578 HB2 :: 2.054 HB3 :: 1.890 HG2 :: 2.301 HG3 :: 2.301 HE21 :: 7.498 HE22 :: 6.795 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 :: 119.459 NE2 :: 111.972 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 174.773 CA :: 50.464 CB :: 18.260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.306 HA :: 4.496 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.768 Ave N Shift Values>> N :: 123.23(3.54) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 174.417 CA :: 61.432 CB :: 30.743 CG :: 27.430 CD :: 50.435 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.596 HB2 :: 2.250 HB3 :: 1.838 HG2 :: 1.943 HG3 :: 1.943 HD2 :: 3.696 HD3 :: 3.462 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.328 Ave N Shift Values>> N :: 134.16(6.62) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.24 S 0.21 V 0.19 T 0.16 I 0.12 C 0.03 C Shift Assignments>> C :: 177.527 CA :: 63.464 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 HN Overlap>> 1.G61 1.G77 1.G61 1.G77 C Shift Assignments>> C :: 173.509 CA :: 45.214 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.367 HA2 :: 3.865 HA3 :: 3.865 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.979 Ave N Shift Values>> N :: 109.67(3.87) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 L 0.01 HN Overlap>> 1.A100 1.A44 1.A25 1.A100 1.A44 1.A25 C Shift Assignments>> C :: 176.843 CA :: 52.311 CB :: 19.673 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.875 HA :: 4.242 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.763 Ave N Shift Values>> N :: 123.23(3.54) 1.Y54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y45 1.Y45 C Shift Assignments>> C :: 174.116 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 :: 8.066 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.035 Ave N Shift Values>> N :: 120.52(4.2) 1.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.239(D) CA :: 63.645(D) CB :: 31.804(D) CG :: 27.326(D) CD :: 50.498(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.345(D) HB2 :: 2.164(D) HB3 :: 1.884(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.687 Ave N Shift Values>> N :: 134.16(6.62) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.914(D) CA :: 45.315(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.115(D) HA2 :: 3.965(D) HA3 :: 3.872(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.184(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.5 C 0.37 E 0.12 HN Overlap>> 1.Q48 1.Q48 1.W26 1.W26 C Shift Assignments>> C :: 175.261(D) CA :: 55.589(D) CB :: 29.807(D) CG :: 33.833(D) CD :: 180.520 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 :: 8.008 HA :: 4.315(D) HB2 :: 2.063(D) HB3 :: 1.890(D) HG2 :: 2.304 HG3 :: 2.304 HE21 :: 7.497 HE22 :: 6.795 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 :: 119.453 NE2 :: 111.977 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> C :: 174.772(D) CA :: 50.437(D) CB :: 18.285(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.306(D) HA :: 4.497(D) HB1 :: 1.277(D) HB2 :: 1.277(D) HB3 :: 1.277(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.762(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 174.415 CA :: 61.475 CB :: 30.804 CG :: 27.364 CD :: 50.432 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.619 HB2 :: 2.265 HB3 :: 1.851 HG2 :: 1.954 HG3 :: 1.954 HD2 :: 3.711 HD3 :: 3.483 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.342 Ave N Shift Values>> N :: 134.16(6.62) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.533 CA :: 63.463 CB :: 31.952 CG :: 27.422 CD :: 50.406 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.380 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 HN Overlap>> 1.G77 1.G52 1.G77 1.G52 C Shift Assignments>> C :: 173.801 CA :: 45.245 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.365 HA2 :: 3.879 HA3 :: 3.879 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.000 Ave N Shift Values>> N :: 109.67(3.87) 1.A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 HN Overlap>> 1.A100 1.A100 1.A69 1.A69 C Shift Assignments>> C :: 177.111(D) CA :: 52.435(D) CB :: 19.480(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.925 HA :: 4.249(D) HB1 :: 1.227(D) HB2 :: 1.227(D) HB3 :: 1.227(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.880 Ave N Shift Values>> N :: 123.23(3.54) 1.Y63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.17 I 0.1 D 0.04 L 0.03 N 0.02 E 0.02 C Shift Assignments>> C :: 175.448(D) CA :: 57.689(D) CB :: 38.870(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 :: 8.032(D) HA :: 4.492(D) HB2 :: 2.918 HB3 :: 2.880 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 :: 118.841(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 C 0.12 W 0.12 E 0.12 M 0.1 Q 0.1 K 0.08 C Shift Assignments>> C :: 175.284 CA :: 56.222 CB :: 30.872 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>> HA :: 4.533 HB2 :: 3.082 HB3 :: 2.945 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 :: 122.108 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.042(D) CA :: 45.014(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.651 HA2 :: 3.834(D) HA3 :: 3.834(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.200 Ave N Shift Values>> N :: 109.67(3.87) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 175.576(D) CA :: 50.526(D) CB :: 18.356(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.057(D) HA :: 4.549(D) HB1 :: 1.312 HB2 :: 1.312 HB3 :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.418(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.23 S 0.22 V 0.19 T 0.16 I 0.12 C 0.03 C Shift Assignments>> CA :: 63.521 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) N Shift Assignments>> N :: 135.627 Ave N Shift Values>> N :: 134.16(6.62) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.513 CA :: 45.212 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.879 HA3 :: 3.879 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 L 0.01 HN Overlap>> 1.A39 1.A62 1.A39 1.A62 C Shift Assignments>> C :: 176.874 CA :: 52.261 CB :: 19.650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.898 HA :: 4.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.975 Ave N Shift Values>> N :: 123.23(3.54) 1.Y70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.2 R 0.01 C Shift Assignments>> C :: 177.098 CA :: 63.713 CB :: 31.803 CG :: 27.381 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.343 HB2 :: 2.179 HB3 :: 1.894 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 HN Overlap>> 1.G27 1.G27 C Shift Assignments>> C :: 173.450 CA :: 45.042 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.044 HA2 :: 3.948 HA3 :: 3.831 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.300 Ave N Shift Values>> N :: 109.67(3.87) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 175.377 CA :: 50.523 CB :: 18.256 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.884 HA :: 4.480 HB1 :: 1.218 HB2 :: 1.218 HB3 :: 1.218 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.381 Ave N Shift Values>> N :: 123.23(3.54) 1.P74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.136(D) CA :: 62.845(D) CB :: 31.999(D) CG :: 27.392(D) CD :: 50.533(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.377(D) HB2 :: 2.199(D) HB3 :: 1.874(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.867 Ave N Shift Values>> N :: 134.16(6.62) 1.A75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 175.393(D) CA :: 50.359(D) CB :: 18.279(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.239(D) HA :: 4.527(D) HB1 :: 1.320(D) HB2 :: 1.320(D) HB3 :: 1.320(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.119(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.558 CA :: 63.454 CB :: 31.960 CG :: 27.463 CD :: 50.392 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.374 HB2 :: 2.242 HB3 :: 1.897 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.056 Ave N Shift Values>> N :: 134.16(6.62) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 HN Overlap>> 1.G61 1.G61 1.G52 1.G52 C Shift Assignments>> C :: 173.567(D) CA :: 45.267(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.344 HA2 :: 3.878(D) HA3 :: 3.878(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.965 Ave N Shift Values>> N :: 109.67(3.87) 1.V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.365(D) CA :: 62.154(D) CB :: 32.935(D) CG1 :: 20.743(D) CG2 :: 21.104(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 :: 7.706(D) HA :: 4.054(D) HB :: 1.957(D) HG11 :: 0.811(D) HG12 :: 0.811(D) HG13 :: 0.811(D) HG21 :: 0.797(D) HG22 :: 0.797(D) HG23 :: 0.797(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 :: 118.994(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 Y 0.19 F 0.17 C 0.14 D 0.14 L 0.06 I 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 174.268(D) CA :: 55.441(D) CB :: 38.751(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 :: 8.338(D) HA :: 4.832(D) HB2 :: 3.013(D) HB3 :: 2.853(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 :: 125.285(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.602(D) CA :: 63.282(D) CB :: 32.016(D) CG :: 27.189 CD :: 50.699 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.428(D) HB2 :: 2.160(D) HB3 :: 1.942(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.102 Ave N Shift Values>> N :: 134.16(6.62) 1.G81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.44 L 0.26 R 0.16 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.899(D) CA :: 44.368(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.532(D) HA2 :: 4.042(D) HA3 :: 3.974(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.163(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 174.664 CA :: 61.526 CB :: 30.872 CG :: 27.278 CD :: 49.732 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.666 HB2 :: 2.283 HB3 :: 1.910 HG2 :: 1.986 HG3 :: 1.986 HD2 :: 3.565 HD3 :: 3.565 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.157 Ave N Shift Values>> N :: 134.16(6.62) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.893 CA :: 63.292 CB :: 31.995 CG :: 27.394 CD :: 49.885 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 2.240 HB3 :: 1.913 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.428 Ave N Shift Values>> N :: 134.16(6.62) 1.S84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.508(D) CA :: 58.156(D) CB :: 64.210(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.235 HA :: 4.453(D) HB2 :: 3.853(D) HB3 :: 3.823(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.115 Ave N Shift Values>> N :: 116.28(3.52) 1.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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 :: 171.841(D) CA :: 44.712(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.160(D) HA2 :: 4.086 HA3 :: 4.086 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.185(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.570 CA :: 63.523 CB :: 31.994 CG :: 27.435 CD :: 49.871 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.382 HB2 :: 2.256 HB3 :: 1.910 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 134.029 Ave N Shift Values>> N :: 134.16(6.62) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 HN Overlap>> 1.G99 1.G99 C Shift Assignments>> C :: 173.507 CA :: 45.213 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.379 HA2 :: 3.918 HA3 :: 3.918 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.145 Ave N Shift Values>> N :: 109.67(3.87) 1.A88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.9 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 176.292(D) CA :: 52.263(D) CB :: 19.715(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.906 HA :: 4.288(D) HB1 :: 1.303(D) HB2 :: 1.303(D) HB3 :: 1.303(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 123.23(3.54) 1.Y89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 F 0.19 L 0.17 Y 0.16 C 0.09 N 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 174.342(D) CA :: 55.861(D) CB :: 40.439(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 :: 8.096(D) HA :: 4.524(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.636(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.72 C 0.23 R 0.02 C Shift Assignments>> C :: 176.885 CA :: 63.340 CB :: 32.060 CG :: 27.353 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.436 HB2 :: 2.234 HB3 :: 1.917 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.608(D) Ave N Shift Values>> N :: 134.16(6.62) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.834 CA :: 58.527 CB :: 63.932 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.357 HA :: 4.468 HB2 :: 3.914 HB3 :: 3.914 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 :: 116.025 Ave N Shift Values>> N :: 116.28(3.52) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.979 CA :: 58.653 CB :: 63.961 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.313 HA :: 4.457 HB2 :: 3.880 HB3 :: 3.880 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 :: 117.065 Ave N Shift Values>> N :: 116.28(3.52) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.676 CA :: 45.250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.954 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.61 C 0.33 E 0.04 HN Overlap>> 1.F5 1.F5 C Shift Assignments>> C :: 174.069 CA :: 53.630 CB :: 28.998 CG :: 33.502 CD :: 180.509 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 :: 8.114 HA :: 4.612 HB2 :: 2.081 HB3 :: 1.911 HG2 :: 2.341 HG3 :: 2.341 HE21 :: 7.493 HE22 :: 6.832 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 :: 120.407 NE2 :: 112.130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.829 CA :: 63.313 CB :: 32.161 CG :: 27.394 CD :: 50.652 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.432 HB2 :: 2.262 HB3 :: 1.911 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.219 Ave N Shift Values>> N :: 134.16(6.62) 1.S96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.743(D) CA :: 58.224(D) CB :: 64.012(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.316 HA :: 4.396(D) HB2 :: 3.831(D) HB3 :: 3.831(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.839 Ave N Shift Values>> N :: 116.28(3.52) 1.A97 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 C Shift Assignments>> C :: 175.363(D) CA :: 50.510(D) CB :: 18.505(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.212(D) HA :: 4.593(D) HB1 :: 1.337(D) HB2 :: 1.337(D) HB3 :: 1.337(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.490(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.21 R 0.01 C Shift Assignments>> C :: 177.666 CA :: 63.605 CB :: 32.035 CG :: 27.203 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.386 HB2 :: 2.242 HB3 :: 1.937 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.705 Ave N Shift Values>> N :: 134.16(6.62) 1.G99 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 HN Overlap>> 1.G87 1.G87 C Shift Assignments>> C :: 173.521 CA :: 45.221 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.420 HA2 :: 3.866 HA3 :: 3.866 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.121 Ave N Shift Values>> N :: 109.67(3.87) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 HN Overlap>> 1.A53 1.A53 1.A62 1.A62 C Shift Assignments>> C :: 176.705 CA :: 52.305 CB :: 19.595 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.939 HA :: 4.262 HB1 :: 1.278 HB2 :: 1.278 HB3 :: 1.278 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.846 Ave N Shift Values>> N :: 123.23(3.54) 1.Y101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 Y 0.2 F 0.17 C 0.16 D 0.1 L 0.04 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 174.044(D) CA :: 55.508 CB :: 38.410 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 :: 7.923 HA :: 4.755 HB2 :: 2.982 HB3 :: 2.846 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 :: 119.725 Ave N Shift Values>> N :: 120.52(4.2) 1.P102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.458 CA :: 63.164 CB :: 32.078 CG :: 27.374 CD :: 50.604 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.413 HB2 :: 2.240 HB3 :: 1.925 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.857(D) Ave N Shift Values>> N :: 134.16(6.62) 1.A103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 177.893(D) CA :: 52.757(D) CB :: 19.355(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.358 HA :: 4.387(D) HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.259 Ave N Shift Values>> N :: 123.23(3.54) 1.T104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.771(D) CA :: 61.453(D) CB :: 70.049(D) CG2 :: 21.612(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 :: 7.974(D) HA :: 4.408(D) HB :: 4.268(D) HG21 :: 1.209(D) HG22 :: 1.209(D) HG23 :: 1.209(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 :: 111.311(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.106(D) CA :: 44.759(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.150(D) HA2 :: 4.083(D) HA3 :: 4.083(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.556(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.852 CA :: 63.450 CB :: 31.822 CG :: 27.062 CD :: 49.712 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.317 HB2 :: 2.069 HB3 :: 1.666 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 133.785 Ave N Shift Values>> N :: 134.16(6.62) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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 HN Overlap>> 1.L11 1.N16 1.L11 1.N16 C Shift Assignments>> C :: 176.254 CA :: 57.739 CB :: 38.430 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 :: 8.167 HA :: 4.553 HB2 :: 3.094 HB3 :: 2.900 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 :: 119.430 Ave N Shift Values>> N :: 120.52(4.2) 1.G108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.113(D) CA :: 45.119(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.027 HA2 :: 3.846(D) HA3 :: 3.846(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.924 Ave N Shift Values>> N :: 109.67(3.87) 1.A109 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 C Shift Assignments>> C :: 175.408(D) CA :: 50.476(D) CB :: 18.510(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.963(D) HA :: 4.594(D) HB1 :: 1.348(D) HB2 :: 1.348(D) HB3 :: 1.348(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.546(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.660(D) CA :: 63.157(D) CB :: 32.097(D) CG :: 27.470 CD :: 50.495 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.416(D) HB2 :: 2.299(D) HB3 :: 1.950(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.611 Ave N Shift Values>> N :: 134.16(6.62) 1.A111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.06 C 0.02 L 0.01 C Shift Assignments>> C :: 177.722(D) CA :: 52.356(D) CB :: 19.636(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.395(D) HA :: 4.387(D) HB1 :: 1.421(D) HB2 :: 1.421(D) HB3 :: 1.421(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.399(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.51 L 0.23 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.N167 1.N167 C Shift Assignments>> C :: 171.356(D) CA :: 44.498(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.079(D) HA2 :: 4.083(D) HA3 :: 4.083(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.160(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.798(D) CA :: 63.131(D) CB :: 32.384(D) CG :: 27.475(D) CD :: 50.708(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.426(D) HB2 :: 2.268(D) HB3 :: 1.934(D) HG2 :: 1.933(D) HG3 :: 1.860(D) HD2 :: 3.640(D) HD3 :: 3.640(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 133.586 Ave N Shift Values>> N :: 134.16(6.62) 1.L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 C 0.24 A 0.04 R 0.01 C Shift Assignments>> C :: 176.041(D) CA :: 54.390(D) CB :: 41.607(D) CG :: 27.265(D) CD1 :: 24.722(D) CD2 :: 23.087(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 :: 8.307(D) HA :: 4.438(D) HB2 :: 1.391(D) HB3 :: 1.037 HG :: 1.485(D) HD11 :: 0.433(D) HD12 :: 0.433(D) HD13 :: 0.433(D) HD21 :: 0.608(D) HD22 :: 0.608(D) HD23 :: 0.608(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 :: 122.498(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.569 CA :: 60.754(D) CB :: 39.022(D) CG1 :: 27.825 CG2 :: 17.733 CD1 :: 12.615 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 :: 8.092(D) HA :: 4.199(D) HB :: 1.890 HG12 :: 1.581 HG13 :: 1.295 HG21 :: 0.966(D) HG22 :: 0.966(D) HG23 :: 0.966(D) HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 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 :: 123.256(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> CA :: 59.062 CB :: 34.158 CG1 :: 22.006 CG2 :: 21.676 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 :: 7.926 HA :: 4.519 HB :: 2.240 HG11 :: 1.150 HG12 :: 1.150 HG13 :: 1.150 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 121.529 Ave N Shift Values>> N :: 121.14(4.54) 1.P117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.79 P 0.19 C Shift Assignments>> C :: 174.515 CA :: 63.157 CB :: 34.735 CG :: 25.660 CD :: 50.986 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.980 HB2 :: 2.370 HB3 :: 2.083 HG2 :: 2.062 HG3 :: 1.948 HD2 :: 3.726 HD3 :: 3.627 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 L 0.21 K 0.12 F 0.11 Y 0.07 C 0.06 D 0.05 G 0.02 HN Overlap>> 1.R162 1.R162 C Shift Assignments>> C :: 173.858(D) CA :: 57.371(D) CB :: 42.987 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 :: 9.201(D) HA :: 4.833 HB2 :: 3.460 HB3 :: 2.572 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 :: 126.260(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.43 C 0.07 HN Overlap>> 1.L177 1.L177 C Shift Assignments>> C :: 171.882 CA :: 51.906(D) CB :: 41.255 CG :: 177.012 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 :: 7.871(D) HA :: 5.287(D) HB2 :: 2.408 HB3 :: 2.203 HD21 :: 7.353 HD22 :: 6.555 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 :: 126.290(D) ND2 :: 111.980 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.07 C Shift Assignments>> CA :: 51.020 CB :: 44.734 CG :: 26.780 CD1 :: 24.617 CD2 :: 26.734 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 :: 9.347 HA :: 4.923 HB2 :: 2.294 HB3 :: 1.250 HG :: 1.759 HD11 :: 1.215 HD12 :: 1.215 HD13 :: 1.215 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 128.124 Ave N Shift Values>> N :: 121.86(3.9) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 175.835 CA :: 63.169 CB :: 32.838 CG :: 27.717 CD :: 51.605 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.406 HB2 :: 2.422 HB3 :: 1.944 HG2 :: 2.205 HG3 :: 1.954 HD2 :: 4.251 HD3 :: 3.864 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.25 A 0.09 C Shift Assignments>> CA :: 51.068 CB :: 41.219 CG :: 25.897 CD1 :: 23.685 CD2 :: 26.593 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 :: 7.815 HA :: 4.801 HB2 :: 1.625 HB3 :: 0.891 HG :: 1.514 HD11 :: 0.549 HD12 :: 0.549 HD13 :: 0.549 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 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 :: 122.285 Ave N Shift Values>> N :: 121.86(3.9) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 178.538 CA :: 64.641 CB :: 31.509 CG :: 27.763 CD :: 50.669 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.302 HB2 :: 2.309 HB3 :: 1.999 HG2 :: 2.172 HG3 :: 2.013 HD2 :: 3.543 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G124 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 :: 174.366 CA :: 45.087 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.748 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.980 Ave N Shift Values>> N :: 109.67(3.87) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.546 CA :: 44.099 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.223 HA2 :: 4.132 HA3 :: 4.132 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.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 174.186 CA :: 61.053 CB :: 32.641 CG1 :: 22.447 CG2 :: 23.868 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 :: 7.183 HA :: 4.393 HB :: 2.263 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.350 Ave N Shift Values>> N :: 121.14(4.54) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.14 A 0.1 C Shift Assignments>> CA :: 57.064 CB :: 35.451 CG1 :: 21.534 CG2 :: 20.040 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.521 HA :: 4.629 HB :: 1.958 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 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 :: 116.723 Ave N Shift Values>> N :: 121.14(4.54) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.800 CA :: 63.419 CB :: 31.693 CG :: 28.627 CD :: 50.903 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.928 HB2 :: 1.846 HB3 :: 1.846 HG2 :: 2.174 HG3 :: 1.345 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.16 L 0.1 K 0.08 G 0.06 C Shift Assignments>> C :: 174.093 CA :: 59.620 CB :: 27.046 CG :: 28.057 CD :: 43.011 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 :: 8.764 HA :: 3.582 HB2 :: 2.539 HB3 :: 2.452 HG2 :: 1.590 HG3 :: 1.502 HD2 :: 3.327 HD3 :: 3.082 HE :: 7.897 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 :: 112.576 NE :: 85.379 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.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.3 A 0.08 C Shift Assignments>> C :: 173.741 CA :: 56.962 CB :: 36.541 CG :: 33.100 CE :: 17.753 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 :: 7.891 HA :: 4.960 HB2 :: 2.283 HB3 :: 2.191 HG2 :: 2.453 HG3 :: 2.453 HE1 :: 1.749 HE2 :: 1.749 HE3 :: 1.749 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.228 Ave N Shift Values>> N :: 120.09(3.57) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.18 L 0.15 C Shift Assignments>> C :: 176.804 CA :: 53.344 CB :: 45.611 CG :: 27.704 CD1 :: 24.840 CD2 :: 26.641 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 :: 9.184 HA :: 5.541 HB2 :: 1.947 HB3 :: 1.263 HG :: 1.336 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 128.432 Ave N Shift Values>> N :: 121.86(3.9) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.39 C Shift Assignments>> C :: 175.374 CA :: 60.939 CB :: 41.210 CG1 :: 29.857 CG2 :: 17.811 CD1 :: 15.459 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 :: 9.973 HA :: 4.980 HB :: 1.997 HG12 :: 1.819 HG13 :: 1.245 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 HD11 :: 1.202 HD12 :: 1.202 HD13 :: 1.202 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 :: 132.364 Ave N Shift Values>> N :: 121.46(4.28) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.069 CA :: 63.088 CB :: 70.204 CG2 :: 21.541 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 :: 9.122 HA :: 5.255 HB :: 3.830 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 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 :: 123.699 Ave N Shift Values>> N :: 115.42(4.75) 1.I134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.44 C Shift Assignments>> C :: 173.741(D) CA :: 59.924 CB :: 41.476 CG1 :: 27.927 CG2 :: 18.813 CD1 :: 14.883 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 :: 9.690 HA :: 4.903 HB :: 1.984 HG12 :: 1.516 HG13 :: 1.192 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 130.080 Ave N Shift Values>> N :: 121.46(4.28) 1.L135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.44 L 0.37 C 0.15 R 0.01 HN Overlap>> 1.W181 1.W181 C Shift Assignments>> C :: 176.092 CA :: 53.308 CB :: 44.756 CG :: 27.591 CD1 :: 24.375 CD2 :: 25.292 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 :: 8.893(D) HA :: 5.064 HB2 :: 1.620 HB3 :: 1.482 HG :: 1.480 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.875(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G136 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 :: 171.183 CA :: 46.337 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.977 HA2 :: 4.198 HA3 :: 4.003 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.314 Ave N Shift Values>> N :: 109.67(3.87) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.022 CA :: 61.754 CB :: 71.599 CG2 :: 21.821 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 :: 8.925 HA :: 4.772 HB :: 3.823 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 115.753 Ave N Shift Values>> N :: 115.42(4.75) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.16 C Shift Assignments>> C :: 176.655 CA :: 63.894 CB :: 31.938 CG1 :: 24.243 CG2 :: 24.755 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 :: 8.447 HA :: 4.090 HB :: 2.631 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 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 :: 128.072 Ave N Shift Values>> N :: 121.14(4.54) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.23 C Shift Assignments>> CA :: 56.365 CB :: 31.926 CG :: 26.344 CD :: 29.451 CE :: 41.848 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 :: 8.311 HA :: 4.342 HG2 :: 1.295 HG3 :: 1.134 HD2 :: 1.618 HD3 :: 1.456 HE2 :: 2.939 HE3 :: 2.849 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.685 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.733 CA :: 63.655 CB :: 31.790 CG :: 28.010 CD :: 50.731 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.136 HB2 :: 2.247 HB3 :: 1.744 HG2 :: 2.061 HG3 :: 1.938 HD2 :: 3.831 HD3 :: 3.519 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.24 D 0.15 E 0.02 C Shift Assignments>> C :: 174.241 CA :: 53.041 CB :: 37.309 CG :: 178.538 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 :: 8.428 HA :: 4.381 HB2 :: 2.776 HB3 :: 2.696 HD21 :: 7.500 HD22 :: 6.823 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 :: 115.743 ND2 :: 113.167 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.06 L 0.04 C 0.04 C Shift Assignments>> C :: 175.713 CA :: 53.329 CB :: 20.223 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.899 HA :: 3.577 HB1 :: 0.560 HB2 :: 0.560 HB3 :: 0.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.472 Ave N Shift Values>> N :: 123.23(3.54) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.22 C 0.22 G 0.01 C Shift Assignments>> C :: 176.690 CA :: 55.173 CB :: 42.109 CG :: 176.484 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 :: 9.596 HA :: 4.920 HB2 :: 2.777 HB3 :: 2.777 HD21 :: 7.800 HD22 :: 7.011 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 :: 116.518 ND2 :: 114.601 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.2 K 0.16 G 0.13 C Shift Assignments>> C :: 173.108 CA :: 55.324 CB :: 33.968 CG :: 25.812 CD :: 43.549 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 :: 8.570 HA :: 5.503 HB2 :: 1.972 HB3 :: 1.565 HG2 :: 1.552 HG3 :: 1.303 HD2 :: 3.277 HD3 :: 3.072 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 :: 117.767 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.I145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 I 0.28 G 0.06 C Shift Assignments>> C :: 173.046 CA :: 60.901 CB :: 42.813 CG1 :: 27.785 CG2 :: 15.459 CD1 :: 13.554 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 :: 8.156 HA :: 4.190 HB :: 0.743(S) HG12 :: 1.420 HG13 :: 0.728 HG21 :: 0.517 HG22 :: 0.517 HG23 :: 0.517 HD11 :: -0.169 HD12 :: -0.169 HD13 :: -0.169 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 :: 119.826 Ave N Shift Values>> N :: 121.46(4.28) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.23 C 0.08 C Shift Assignments>> C :: 174.936 CA :: 52.502 CB :: 21.618 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.700 HA :: 5.191 HB1 :: 1.138 HB2 :: 1.138 HB3 :: 1.138 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.138 Ave N Shift Values>> N :: 123.23(3.54) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 C 0.26 L 0.25 R 0.15 A 0.01 C Shift Assignments>> C :: 174.687 CA :: 53.689 CB :: 44.123 CG :: 28.830 CD1 :: 24.244 CD2 :: 25.447 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 :: 8.537 HA :: 5.097 HB2 :: 1.623 HB3 :: 1.300 HG :: 1.664 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 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 :: 122.087 Ave N Shift Values>> N :: 121.86(3.9) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.29 R 0.11 D 0.06 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.522 CA :: 53.629 CB :: 44.446 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 :: 9.082 HA :: 5.500 HB2 :: 2.490 HB3 :: 2.338 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 :: 121.025 Ave N Shift Values>> N :: 120.65(3.86) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 C 0.19 I 0.17 E 0.03 D 0.01 L 0.01 C Shift Assignments>> C :: 175.671 CA :: 58.645 CB :: 38.542 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 :: 9.332 HA :: 4.816 HB2 :: 3.360 HB3 :: 2.989 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.385 Ave N Shift Values>> N :: 120.45(4.18) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.37 E 0.09 C Shift Assignments>> C :: 173.460 CA :: 57.044 CB :: 31.669 CG :: 34.421 CD :: 179.060 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.148 HA :: 4.720 HB2 :: 2.018 HG2 :: 2.281 HG3 :: 2.281 HE21 :: 6.900 HE22 :: 6.859 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 :: 127.233 NE2 :: 108.745 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.29 K 0.17 G 0.03 C Shift Assignments>> CA :: 54.230 CB :: 31.610 CG :: 27.430 CD :: 42.776 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 :: 8.167 HA :: 4.979 HB2 :: 1.820 HB3 :: 1.412 HG2 :: 1.636 HG3 :: 1.535 HD2 :: 3.498 HD3 :: 2.940 HE :: 7.292 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.570 NE :: 82.629 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.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.259 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.029 HA3 :: 3.659 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.3 C 0.13 C Shift Assignments>> C :: 175.561 CA :: 53.841 CB :: 39.165 CG :: 177.383 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>> HA :: 4.692 HB2 :: 2.893 HB3 :: 2.620 HD21 :: 7.647 HD22 :: 6.936 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>> ND2 :: 113.856 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.24 K 0.13 R 0.13 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> C :: 176.495 CA :: 53.984 CB :: 42.385 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 :: 8.475 HA :: 4.682 HB2 :: 3.113 HB3 :: 3.113 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 :: 119.954 Ave N Shift Values>> N :: 120.65(3.86) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 176.132 CA :: 61.860 CB :: 32.654 CG1 :: 20.264 CG2 :: 22.867 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 :: 9.213 HA :: 4.428 HB :: 1.804 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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 :: 121.297 Ave N Shift Values>> N :: 121.14(4.54) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.3 C 0.06 L 0.02 V 0.02 I 0.02 C Shift Assignments>> C :: 179.147 CA :: 55.353 CB :: 19.494 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.876 HA :: 4.187 HB1 :: 1.548 HB2 :: 1.548 HB3 :: 1.548 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.830 Ave N Shift Values>> N :: 123.23(3.54) 1.F157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.2 Y 0.17 L 0.16 C 0.09 N 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 170.186 CA :: 56.126 CB :: 40.447 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 :: 7.658 HA :: 5.133 HB2 :: 3.188 HB3 :: 2.279 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 :: 118.506 Ave N Shift Values>> N :: 120.45(4.18) 1.H158 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.21 H 0.14 C 0.14 R 0.14 K 0.11 W 0.08 Q 0.06 E 0.06 C Shift Assignments>> C :: 171.401 CA :: 54.143 CB :: 31.706 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 :: 9.429 HA :: 5.475 HB2 :: 3.274 HB3 :: 3.042 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 :: 133.456(S) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.18 L 0.18 Y 0.15 C 0.08 K 0.07 N 0.06 I 0.01 C Shift Assignments>> C :: 173.765 CA :: 55.932 CB :: 40.583 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 :: 8.470 HA :: 4.651 HB2 :: 2.532 HB3 :: 2.104 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.889 Ave N Shift Values>> N :: 120.45(4.18) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.23 L 0.17 C 0.07 K 0.04 F 0.03 G 0.02 Y 0.01 R 0.01 C Shift Assignments>> CA :: 50.214 CB :: 41.574 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 :: 8.412 HA :: 5.267 HB2 :: 2.676 HB3 :: 1.681 HD21 :: 7.444 HD22 :: 6.091 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.342 ND2 :: 106.406 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.68 P 0.24 G 0.07 C Shift Assignments>> C :: 173.632 CA :: 63.940 CB :: 31.421 CG :: 29.332 CD :: 48.337 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.262 HG2 :: 0.743(S) HG3 :: 0.743(S) HD2 :: 3.251 HD3 :: 2.260(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 G 0.17 K 0.01 HN Overlap>> 1.Y118 1.Y118 C Shift Assignments>> C :: 174.332 CA :: 55.903 CB :: 31.643 CG :: 26.809 CD :: 44.075 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 :: 9.301 HA :: 4.762 HB2 :: 1.880 HB3 :: 1.880 HD2 :: 3.108 HD3 :: 2.606 HE :: 7.132 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 :: 126.311 NE :: 85.157 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.F163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.28 I 0.22 C 0.15 L 0.02 D 0.01 C Shift Assignments>> C :: 175.319 CA :: 59.653 CB :: 39.739 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 :: 8.129 HA :: 3.692 HB2 :: 2.965 HB3 :: 2.965 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 :: 118.770 Ave N Shift Values>> N :: 120.45(4.18) 1.N164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.23 C 0.12 C Shift Assignments>> C :: 173.655 CA :: 52.898 CB :: 38.401 CG :: 177.884 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 :: 8.695 HA :: 4.493 HB2 :: 2.878 HB3 :: 2.647 HD21 :: 7.450 HD22 :: 6.702 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 :: 117.497 ND2 :: 110.409 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.38 M 0.11 K 0.03 Q 0.02 I 0.01 C Shift Assignments>> CA :: 55.147 CB :: 30.385 CG :: 36.870 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 :: 8.931 HA :: 4.526 HB2 :: 1.941 HB3 :: 1.598 HG2 :: 2.059 HG3 :: 1.884 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 :: 125.571 Ave N Shift Values>> N :: 120.67(3.48) 1.N166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.33 D 0.16 E 0.03 C Shift Assignments>> C :: 174.484 CA :: 54.732 CB :: 37.473 CG :: 178.211 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>> HA :: 4.266 HB2 :: 2.987 HB3 :: 2.677 HD21 :: 7.510 HD22 :: 6.868 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>> ND2 :: 112.670 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 N 0.32 D 0.21 E 0.06 HN Overlap>> 1.G112 1.G112 C Shift Assignments>> C :: 174.000 CA :: 55.046 CB :: 37.581 CG :: 178.775 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 :: 8.076 HA :: 4.323 HB2 :: 3.049 HB3 :: 2.967 HD21 :: 7.452 HD22 :: 6.851 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 :: 108.167 ND2 :: 112.941 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.1 K 0.07 C Shift Assignments>> C :: 173.942 CA :: 54.410 CB :: 33.175 CG :: 27.083 CD :: 43.384 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 :: 7.412 HA :: 4.542 HB2 :: 1.736 HB3 :: 1.680 HG2 :: 1.595 HG3 :: 1.595 HD2 :: 3.169 HD3 :: 3.169 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 :: 117.371 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.R169 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.29 C 0.27 G 0.23 L 0.17 K 0.01 C Shift Assignments>> C :: 176.030 CA :: 54.383 CB :: 28.610 CG :: 26.553 CD :: 44.082 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 :: 7.880 HA :: 4.469 HB2 :: 0.879(S) HB3 :: -0.513(S) HG2 :: 1.276 HG3 :: 1.191 HD2 :: 2.891 HD3 :: 2.731 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 :: 119.067 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.V170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.23 C Shift Assignments>> C :: 172.030 CA :: 60.416 CB :: 35.847 CG1 :: 19.453 CG2 :: 21.143 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 :: 8.576 HA :: 4.612 HB :: 1.945 HG11 :: 0.737 HG12 :: 0.737 HG13 :: 0.737 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 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 :: 121.577 Ave N Shift Values>> N :: 121.14(4.54) 1.I171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.335 CA :: 60.622 CB :: 38.970 CG1 :: 28.386 CG2 :: 17.863 CD1 :: 15.108 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 :: 8.745 HA :: 4.227 HB :: 1.816 HG12 :: 1.807 HG13 :: 0.673 HG21 :: 0.165 HG22 :: 0.165 HG23 :: 0.165 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 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 :: 124.678 Ave N Shift Values>> N :: 121.46(4.28) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.569 CA :: 62.069 CB :: 34.020 CG1 :: 21.877 CG2 :: 21.603 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 :: 7.359 HA :: 4.357 HB :: 1.919 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 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 :: 128.147 Ave N Shift Values>> N :: 121.14(4.54) 1.C173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.15 R 0.12 H 0.11 Q 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 174.218 CA :: 55.737 CB :: 32.411 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.791 HA :: 6.070 HB2 :: 3.224 HB3 :: 3.016 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 120.17(4.64) 1.N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.14 K 0.07 N 0.04 C 0.04 G 0.04 F 0.03 Y 0.02 HN Overlap>> 1.T243 1.T243 C Shift Assignments>> C :: 173.940 CA :: 52.413 CB :: 42.679 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 :: 8.992 HA :: 5.567 HB2 :: 3.018 HB3 :: 2.906 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 :: 119.559 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T175 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 T 0.05 C Shift Assignments>> C :: 171.608 CA :: 62.448 CB :: 75.515(S) CG2 :: 21.648 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 :: 10.055 HA :: 4.762 HB :: 4.208 HG21 :: 1.472 HG22 :: 1.472 HG23 :: 1.472 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.317 Ave N Shift Values>> N :: 115.42(4.75) 1.K176 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.58 C 0.36 R 0.03 C Shift Assignments>> C :: 173.835 CA :: 54.551 CB :: 33.480 CG :: 24.234 CD :: 29.010 CE :: 41.453 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 :: 9.057 HA :: 4.307 HG2 :: 0.484(S) HG3 :: -0.426(S) HD2 :: 0.837(S) HD3 :: 0.837(S) HE2 :: 2.315 HE3 :: 2.315 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.37 C 0.11 A 0.02 HN Overlap>> 1.N119 1.N119 C Shift Assignments>> C :: 177.132 CA :: 52.934 CB :: 44.765 CG :: 26.435 CD1 :: 23.638 CD2 :: 25.062 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 :: 7.946 HA :: 4.624 HB2 :: 1.524 HB3 :: 1.372 HG :: 1.428 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.369 Ave N Shift Values>> N :: 121.86(3.9) 1.D178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.19 D 0.18 N 0.16 C 0.12 L 0.09 I 0.02 C Shift Assignments>> C :: 175.202 CA :: 55.635 CB :: 39.336 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 :: 9.040 HA :: 4.177 HB2 :: 2.822 HB3 :: 2.538 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 :: 126.154 Ave N Shift Values>> N :: 120.65(3.86) 1.N179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.36 C 0.23 E 0.01 C Shift Assignments>> C :: 173.687 CA :: 54.695 CB :: 38.518 CG :: 178.585 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 :: 9.157 HA :: 3.807 HB2 :: 3.006 HB3 :: 2.872 HD21 :: 7.495 HD22 :: 6.845 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 :: 108.613 ND2 :: 113.436 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.42 C 0.08 C Shift Assignments>> C :: 174.702 CA :: 52.241 CB :: 41.469 CG :: 176.654 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 :: 7.798 HA :: 5.055 HB2 :: 2.716 HB3 :: 2.657 HD21 :: 7.441 HD22 :: 6.892 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 :: 117.756 ND2 :: 114.557 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.14 H 0.13 Q 0.1 M 0.06 K 0.06 V 0.01 I 0.01 HN Overlap>> 1.L135 1.L135 C Shift Assignments>> C :: 177.476 CA :: 57.800 CB :: 30.422 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 :: 8.958 HA :: 4.865 HB2 :: 3.365 HB3 :: 3.118 HD1 :: 7.347 HE1 :: 10.162 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 :: 126.857 NE1 :: 129.148 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.327 CA :: 44.612 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.250 HA2 :: 4.582 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.388 Ave N Shift Values>> N :: 109.67(3.87) 1.R183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.08 K 0.03 C Shift Assignments>> C :: 176.108 CA :: 56.220 CB :: 30.402 CG :: 27.186 CD :: 43.529 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 :: 8.647 HA :: 4.429 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 1.769 HG3 :: 1.699 HD2 :: 3.329 HD3 :: 3.270 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 :: 124.018 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.E184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.35 M 0.12 I 0.02 C Shift Assignments>> C :: 177.124 CA :: 57.094 CB :: 31.247 CG :: 37.271 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 :: 8.820 HA :: 4.446 HB2 :: 2.105 HB3 :: 1.875 HG2 :: 2.439 HG3 :: 2.161 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 :: 125.903 Ave N Shift Values>> N :: 120.67(3.48) 1.E185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.15 Q 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 176.327 CA :: 55.723 CB :: 30.815 CG :: 36.748 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 :: 9.177 HA :: 4.789 HB2 :: 2.300 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 :: 122.584 Ave N Shift Values>> N :: 120.67(3.48) 1.R186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.21 G 0.12 R 0.03 HN Overlap>> 1.H217 1.H217 C Shift Assignments>> C :: 175.554 CA :: 55.376 CB :: 33.801 CG :: 30.459 CD :: 43.297 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 :: 8.898 HA :: 5.445 HB2 :: 1.705 HG2 :: 1.673 HD2 :: 3.240 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 :: 124.126 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.Q187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Q 0.38 E 0.05 N 0.01 C Shift Assignments>> CA :: 54.108 CB :: 32.418 CG :: 34.195 CD :: 179.310 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 :: 8.856 HA :: 4.888 HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.580 HG3 :: 2.389 HE21 :: 7.391 HE22 :: 7.118 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 :: 121.715 NE2 :: 111.739 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.085 CA :: 59.573 CB :: 64.020 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.623 HB2 :: 4.001 HB3 :: 3.954 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) 1.V189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 174.460 CA :: 64.730 CB :: 31.204 CG1 :: 21.230 CG2 :: 21.500 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 :: 7.892 HA :: 3.815 HB :: 1.892 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 125.289 Ave N Shift Values>> N :: 121.14(4.54) 1.F190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.21 D 0.16 F 0.14 Y 0.1 C 0.06 R 0.04 N 0.01 I 0.01 C Shift Assignments>> CA :: 56.292 CB :: 41.578 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 :: 8.374 HA :: 4.847 HB2 :: 3.413 HB3 :: 2.378 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.713 Ave N Shift Values>> N :: 120.45(4.18) 1.P191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 175.175 CA :: 63.003 CB :: 31.804 CG :: 26.726 CD :: 50.314 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.567 HB2 :: 1.995 HB3 :: 1.519 HG2 :: 1.596 HG3 :: 0.820 HD2 :: 3.435 HD3 :: 2.846 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F192 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.25 L 0.17 F 0.17 Y 0.13 D 0.08 C 0.07 R 0.07 I 0.02 C Shift Assignments>> C :: 174.061 CA :: 57.429 CB :: 41.789 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 :: 5.782(S) HA :: 4.403 HB2 :: 2.918 HB3 :: 2.278 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 :: 113.393 Ave N Shift Values>> N :: 120.45(4.18) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.19 E 0.11 C Shift Assignments>> C :: 175.452 CA :: 55.341 CB :: 33.859 CG :: 36.452 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.159 HA :: 4.871 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 2.395 HG3 :: 2.364 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 :: 119.879 Ave N Shift Values>> N :: 120.67(3.48) 1.S194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.882 CA :: 60.729 CB :: 63.139 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.065 HA :: 3.881 HB2 :: 3.919 HB3 :: 3.919 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.525 Ave N Shift Values>> N :: 116.28(3.52) 1.G195 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 :: 174.077 CA :: 45.708 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.124 HA2 :: 4.207 HA3 :: 3.726 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.565 Ave N Shift Values>> N :: 109.67(3.87) 1.K196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.26 R 0.16 G 0.01 C Shift Assignments>> CA :: 53.325 CB :: 33.090 CG :: 25.031 CD :: 28.497 CE :: 42.329 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 :: 7.736 HA :: 5.122 HB2 :: 2.096 HB3 :: 1.995 HG2 :: 1.529 HG3 :: 1.349 HD2 :: 1.744 HD3 :: 1.657 HE2 :: 3.015 HE3 :: 3.015 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 :: 118.020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 175.850 CA :: 62.659 CB :: 33.149 CG :: 27.404 CD :: 51.621 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.263 HB2 :: 2.356 HB3 :: 1.925 HG2 :: 2.084 HD2 :: 4.004 HD3 :: 3.750 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 D 0.08 F 0.07 K 0.06 C 0.05 G 0.05 Y 0.04 C Shift Assignments>> C :: 172.823 CA :: 56.181 CB :: 43.378 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 :: 8.789 HA :: 5.566 HB2 :: 3.322 HB3 :: 2.958 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.536 Ave N Shift Values>> N :: 120.45(4.18) 1.K199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.27 R 0.09 C Shift Assignments>> C :: 176.093 CA :: 54.828 CB :: 36.571 CG :: 25.065 CD :: 29.968 CE :: 41.349 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 :: 8.184 HA :: 5.188 HB2 :: 1.700 HB3 :: 1.700 HG2 :: 1.234 HG3 :: 1.110 HD2 :: 1.613 HD3 :: 1.538 HE2 :: 2.736 HE3 :: 2.682 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 :: 121.597 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 175.077 CA :: 60.656 CB :: 41.938 CG1 :: 28.229 CG2 :: 17.476 CD1 :: 14.399 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 :: 9.857 HA :: 4.951 HB :: 1.802 HG12 :: 2.136 HG13 :: 1.082 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.494 Ave N Shift Values>> N :: 121.46(4.28) 1.Q201 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 M 0.36 E 0.07 Q 0.02 C Shift Assignments>> C :: 174.773 CA :: 53.969 CB :: 33.586 CG :: 35.399 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.368 HA :: 5.841(S) HB2 :: 1.991 HB3 :: 1.917 HG2 :: 2.588 HG3 :: 2.063 HE21 :: 7.695 HE22 :: 7.085 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 :: 125.211 NE2 :: 113.832 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 173.882 CA :: 60.747(D) CB :: 34.490 CG1 :: 20.051 CG2 :: 21.998 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 :: 9.605 HA :: 5.174(D) HB :: 2.274 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 123.331 Ave N Shift Values>> N :: 121.14(4.54) 1.L203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.15 L 0.14 A 0.02 R 0.01 C Shift Assignments>> C :: 175.663 CA :: 53.183 CB :: 45.377 CG :: 27.725 CD1 :: 23.584 CD2 :: 26.365 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 :: 9.523 HA :: 5.427 HG :: 1.264 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 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 :: 130.215 Ave N Shift Values>> N :: 121.86(3.9) 1.V204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.741 CA :: 63.486 CB :: 30.976 CG1 :: 20.529 CG2 :: 21.496 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 :: 8.973 HA :: 3.899 HB :: 2.474 HG11 :: 1.063 HG12 :: 1.063 HG13 :: 1.063 HG21 :: 0.434 HG22 :: 0.434 HG23 :: 0.434 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 :: 127.453 Ave N Shift Values>> N :: 121.14(4.54) 1.E205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.14 Q 0.11 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.406 CB :: 28.819 CG :: 36.071 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 :: 8.325 HA :: 5.062 HB2 :: 1.984 HG2 :: 1.940 HG3 :: 1.940 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 :: 128.112 Ave N Shift Values>> N :: 120.67(3.48) 1.P206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.33 T 0.21 S 0.17 I 0.14 P 0.09 C 0.02 C Shift Assignments>> C :: 176.847 CA :: 66.221 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.002 HB2 :: 2.368 HB3 :: 1.814 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D207 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> D 0.29 L 0.27 K 0.13 R 0.06 N 0.06 F 0.06 C 0.04 Y 0.04 C Shift Assignments>> C :: 176.327 CA :: 53.679 CB :: 41.970 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.005 HA :: 4.916 HB2 :: 2.660 HB3 :: 2.625 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 :: 106.998(S) Ave N Shift Values>> N :: 120.65(3.86) 1.H208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.14 C 0.14 H 0.14 K 0.13 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> C :: 172.912 CA :: 54.961 CB :: 31.840 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 :: 6.500 HA :: 3.996 HB2 :: 3.286 HB3 :: 2.463 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 :: 116.267 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.19 L 0.15 Y 0.14 C 0.08 D 0.08 R 0.06 I 0.02 C Shift Assignments>> CA :: 57.658 CB :: 41.678 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 :: 8.577 HA :: 4.971 HB2 :: 2.565 HB3 :: 2.379 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.701 Ave N Shift Values>> N :: 120.45(4.18) 1.K210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 K 0.09 R 0.02 C Shift Assignments>> C :: 175.163 CA :: 56.662 CB :: 35.817 CG :: 27.450 CE :: 41.483 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 :: 9.633 HA :: 5.086 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 :: 123.212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 173.585 CA :: 61.412(D) CB :: 34.311 CG1 :: 21.230(D) CG2 :: 21.552(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 :: 9.037 HA :: 5.047(D) HB :: 1.840 HG11 :: 0.464(D) HG12 :: 0.464(D) HG13 :: 0.464(D) HG21 :: 0.829(D) HG22 :: 0.829(D) HG23 :: 0.829(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 :: 122.218 Ave N Shift Values>> N :: 121.14(4.54) 1.A212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.47 L 0.36 C 0.13 K 0.01 C Shift Assignments>> C :: 177.022 CA :: 50.928(D) CB :: 22.585(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.456 HA :: 4.996(D) HB1 :: 1.131(D) HB2 :: 1.131(D) HB3 :: 1.131(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.730 Ave N Shift Values>> N :: 123.23(3.54) 1.V213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 175.593 CA :: 59.980 CB :: 34.338 CG1 :: 20.774 CG2 :: 23.407(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 :: 8.380 HA :: 5.107 HB :: 1.614 HG11 :: 0.260 HG12 :: 0.260 HG13 :: 0.260 HG21 :: 0.760(D) HG22 :: 0.760(D) HG23 :: 0.760(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 :: 120.514 Ave N Shift Values>> N :: 121.14(4.54) 1.N214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.2 M 0.19 N 0.11 K 0.07 Q 0.06 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 173.983 CA :: 54.448 CB :: 35.779 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 :: 9.885 HA :: 4.281 HB2 :: 2.948 HB3 :: 2.948 HD21 :: 7.576 HD22 :: 6.708 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.206 ND2 :: 111.762 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D215 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> Y 0.24 F 0.23 C 0.14 D 0.12 N 0.1 L 0.07 I 0.04 E 0.01 C Shift Assignments>> C :: 173.839 CA :: 56.353(D) CB :: 39.132(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 :: 8.899 HA :: 4.042(D) HB2 :: 3.014(D) HB3 :: 2.864(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 :: 107.612(S) Ave N Shift Values>> N :: 120.65(3.86) 1.A216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 176.538 CA :: 50.912(D) CB :: 21.069(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.560 HA :: 4.703(D) HB1 :: 1.304(D) HB2 :: 1.304(D) HB3 :: 1.304(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 123.23(3.54) 1.H217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.15 R 0.11 E 0.11 H 0.09 V 0.09 K 0.07 M 0.05 Q 0.05 I 0.02 HN Overlap>> 1.R186 1.R186 C Shift Assignments>> C :: 174.249 CA :: 59.494 CB :: 31.138 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 :: 8.882 HA :: 4.135 HB2 :: 3.059 HB3 :: 2.935 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.086 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.28 L 0.1 A 0.03 R 0.03 C Shift Assignments>> C :: 174.780 CA :: 55.640 CB :: 45.281 CG :: 27.474 CD1 :: 22.529 CD2 :: 26.907 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 :: 9.071 HA :: 4.583 HB2 :: 1.669 HB3 :: 1.311 HG :: 1.282 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 128.625 Ave N Shift Values>> N :: 121.86(3.9) 1.L219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 C 0.33 G 0.13 L 0.11 C Shift Assignments>> C :: 173.784 CA :: 54.439 CB :: 43.524 CG :: 26.099 CD1 :: 24.835 CD2 :: 28.619 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 :: 7.713(D) HA :: 4.691 HB2 :: 2.040 HB3 :: 1.771 HG :: 1.579 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 1.007 HD22 :: 1.007 HD23 :: 1.007 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 :: 110.515(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.32 Q 0.11 E 0.05 C Shift Assignments>> C :: 174.257 CA :: 53.827 CB :: 32.590 CG :: 34.374 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 :: 8.728 HA :: 5.474 HB2 :: 1.824 HB3 :: 1.730 HG2 :: 2.157 HG3 :: 2.080 HE21 :: 6.993 HE22 :: 6.399 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 :: 118.908 NE2 :: 110.654 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.21 F 0.13 D 0.11 R 0.1 Y 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 174.499 CA :: 56.705 CB :: 42.027 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 :: 8.983 HA :: 4.821 HB2 :: 2.251 HB3 :: 2.155 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 :: 125.715 Ave N Shift Values>> N :: 120.52(4.2) 1.N222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.13 D 0.08 Y 0.07 F 0.06 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 175.176 CA :: 53.240 CB :: 37.799 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 :: 9.246 HA :: 4.512 HB2 :: 2.668 HB3 :: 2.588 HD21 :: 7.335 HD22 :: 6.787 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 :: 129.653 ND2 :: 110.721 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H223 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.15 R 0.14 W 0.13 H 0.13 E 0.12 M 0.09 K 0.09 Q 0.08 V 0.02 C Shift Assignments>> C :: 177.257 CA :: 57.595 CB :: 31.094 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 :: 7.212 HA :: 4.583 HB2 :: 2.664 HB3 :: 2.664 HE2 :: 10.106 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 :: 117.333 NE2 :: 161.376(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.35 G 0.18 K 0.01 C Shift Assignments>> C :: 177.413 CA :: 57.564 CB :: 31.704 CG :: 27.216 CD :: 44.219 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 :: 9.478 HD2 :: 3.273 HD3 :: 3.273 HE :: 7.498 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.249 NE :: 84.750 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.V225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 62.153 CB :: 32.744 CG1 :: 20.907 CG2 :: 22.132 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 HA :: 4.049 HB :: 2.033 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 120.290 Ave N Shift Values>> N :: 121.14(4.54) 1.K226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.42 C 0.38 R 0.17 C Shift Assignments>> C :: 177.092 CA :: 56.769 CB :: 32.526 CG :: 25.559 CD :: 28.652 CE :: 42.074 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>> HA :: 4.029 HB2 :: 1.942 HB3 :: 1.638 HG2 :: 1.390 HG3 :: 1.288 HD2 :: 1.597 HD3 :: 1.597 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.K227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 G 0.01 L 0.01 C Shift Assignments>> C :: 176.069 CA :: 54.404 CB :: 29.707 CG :: 24.503 CD :: 29.046 CE :: 42.061 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 :: 7.082 HA :: 4.472 HB2 :: 1.751 HB3 :: 1.526 HG2 :: 1.385 HG3 :: 1.336 HD2 :: 1.654 HD3 :: 1.616 HE2 :: 2.965 HE3 :: 2.965 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 :: 120.647 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L228 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 L 0.2 A 0.05 C Shift Assignments>> C :: 178.315 CA :: 57.857 CB :: 40.438 CG :: 26.567 CD1 :: 24.382 CD2 :: 20.044 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 :: 7.651 HA :: 3.569 HB2 :: 1.552 HB3 :: 1.355 HG :: 1.338 HD11 :: 0.340 HD12 :: 0.340 HD13 :: 0.340 HD21 :: -0.255(S) HD22 :: -0.255(S) HD23 :: -0.255(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.854 Ave N Shift Values>> N :: 121.86(3.9) 1.N229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.45 D 0.06 E 0.02 C Shift Assignments>> C :: 174.983 CA :: 55.366 CB :: 36.908 CG :: 177.430 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 :: 8.421 HA :: 4.602 HB2 :: 2.888 HB3 :: 2.730 HD21 :: 7.546 HD22 :: 7.019 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 :: 112.968 ND2 :: 113.799 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.37 M 0.1 K 0.03 Q 0.02 I 0.02 C Shift Assignments>> C :: 176.589 CA :: 56.011 CB :: 30.416 CG :: 36.758 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 :: 7.432 HA :: 4.245 HB2 :: 2.259 HB3 :: 1.896 HG2 :: 2.245 HG3 :: 2.152 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 :: 116.444 Ave N Shift Values>> N :: 120.67(3.48) 1.I231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 174.475 CA :: 61.518 CB :: 36.441 CG1 :: 27.799 CG2 :: 19.173 CD1 :: 15.098 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 :: 7.651 HA :: 4.456 HB :: 2.320 HG12 :: 1.894 HG13 :: 0.621 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 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 :: 122.140 Ave N Shift Values>> N :: 121.46(4.28) 1.S232 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 :: 175.593 CA :: 58.566 CB :: 65.305 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.714 HA :: 4.943 HB2 :: 4.188 HB3 :: 3.682 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 :: 116.223 Ave N Shift Values>> N :: 116.28(3.52) 1.K233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.35 R 0.06 C Shift Assignments>> C :: 172.811 CA :: 56.303 CB :: 36.461 CG :: 24.479 CD :: 29.460 CE :: 41.788 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 :: 7.880 HA :: 4.837 HB2 :: 1.877 HB3 :: 1.663 HG2 :: 1.268 HG3 :: 1.241 HD2 :: 1.523 HD3 :: 1.523 HE2 :: 2.816 HE3 :: 2.816 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 :: 120.904 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L234 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.33 A 0.26 L 0.16 C 0.16 R 0.07 HN Overlap>> 1.I250 1.I250 C Shift Assignments>> C :: 174.241 CA :: 52.714 CB :: 44.016 CG :: 26.790 CD1 :: 22.040 CD2 :: 26.694 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 :: 8.609 HA :: 4.890 HB2 :: 1.831 HB3 :: 0.843 HG :: 1.120 HD11 :: -0.333(S) HD12 :: -0.333(S) HD13 :: -0.333(S) HD21 :: 0.605 HD22 :: 0.605 HD23 :: 0.605 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 :: 124.659 Ave N Shift Values>> N :: 121.86(3.9) 1.G235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.890 CA :: 45.043 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.314 HA2 :: 5.100 HA3 :: 3.516 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.530 Ave N Shift Values>> N :: 109.67(3.87) 1.I236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 174.249 CA :: 61.327 CB :: 40.572 CG1 :: 27.873 CG2 :: 18.591 CD1 :: 15.939 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 :: 9.357 HA :: 4.805 HB :: 1.991 HG12 :: 1.693 HG13 :: 0.844 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.294 Ave N Shift Values>> N :: 121.46(4.28) 1.S237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 171.932 CA :: 57.621 CB :: 66.406 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.374 HA :: 4.803 HB2 :: 3.966 HB3 :: 3.903 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.328 Ave N Shift Values>> N :: 116.28(3.52) 1.G238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 175.015 CA :: 43.432 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.827 HA2 :: 4.564 HA3 :: 3.682 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.551 Ave N Shift Values>> N :: 109.67(3.87) 1.D239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 174.741 CA :: 54.250 CB :: 41.093 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 :: 8.590 HA :: 4.756 HB2 :: 2.661 HB3 :: 2.486 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 :: 121.821 Ave N Shift Values>> N :: 120.65(3.86) 1.I240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.1 G 0.06 A 0.02 C Shift Assignments>> C :: 173.952 CA :: 58.778 CB :: 42.577 CG1 :: 25.138 CG2 :: 19.959 CD1 :: 14.153 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.898 HA :: 5.140 HB :: 1.901 HG12 :: 1.340 HG13 :: 0.712 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 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 :: 111.779 Ave N Shift Values>> N :: 121.46(4.28) 1.D241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.23 R 0.16 K 0.1 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.02 C Shift Assignments>> C :: 174.986 CA :: 53.734 CB :: 42.642 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 :: 8.903 HA :: 4.952 HB2 :: 2.591 HB3 :: 2.411 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 :: 120.726 Ave N Shift Values>> N :: 120.65(3.86) 1.L242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.54 L 0.21 C 0.21 R 0.02 C Shift Assignments>> C :: 174.897 CA :: 54.438 CB :: 45.131 CG :: 27.004 CD1 :: 24.684 CD2 :: 27.002(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 :: 9.145(D) HA :: 4.522 HB2 :: 1.628 HB3 :: 1.095 HG :: 1.250 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 0.541(D) HD22 :: 0.541(D) HD23 :: 0.541(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 :: 125.544(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.92 C 0.07 HN Overlap>> 1.N174 1.N174 C Shift Assignments>> C :: 174.772(D) CA :: 63.463(D) CB :: 69.329(D) CG2 :: 22.233(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 :: 9.043(D) HA :: 4.359(D) HB :: 3.797(D) HG21 :: 1.066(D) HG22 :: 1.066(D) HG23 :: 1.066(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.634(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.179(D) CA :: 58.271(D) CB :: 64.455 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.745(D) HA :: 4.407 HB2 :: 3.772 HB3 :: 3.531 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 :: 112.326(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 L 0.19 C 0.07 C Shift Assignments>> C :: 174.003 CA :: 51.913 CB :: 21.623 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.390(D) HA :: 5.226(D) HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.540(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.538(D) CA :: 57.585(D) CB :: 65.754(D) 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 HA :: 4.857(D) HB2 :: 3.941 HB3 :: 3.941 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 :: 115.297 Ave N Shift Values>> N :: 116.28(3.52) 1.Y247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.31 D 0.09 G 0.06 F 0.06 C 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 173.194 CA :: 55.655 CB :: 43.516 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) HA :: 5.968(D) HB2 :: 3.044 HB3 :: 2.876 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.859(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.67 C 0.31 A 0.01 C Shift Assignments>> C :: 171.929 CA :: 59.630 CB :: 70.597 CG2 :: 19.478 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 :: 8.883(D) HA :: 4.631 HB :: 4.146 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 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 :: 114.839(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.25 C 0.22 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 176.444 CA :: 53.281 CB :: 31.873 CG :: 31.799 CE :: 16.385 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 :: 8.116 HA :: 5.528 HB2 :: 2.150 HB3 :: 1.990 HG2 :: 2.742 HG3 :: 2.559 HE1 :: 2.040 HE2 :: 2.040 HE3 :: 2.040 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.931 Ave N Shift Values>> N :: 120.09(3.57) 1.I250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 HN Overlap>> 1.L234 1.L234 C Shift Assignments>> CA :: 62.240 CB :: 40.203 CG1 :: 26.659 CG2 :: 19.692 CD1 :: 15.199 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 :: 8.585 HA :: 4.428 HB :: 2.097 HG12 :: 1.341 HG13 :: 1.222 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 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 :: 124.656 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 156 #Clerical: 81 #Suspicious: 12 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 247 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 250 #Suspicious: 0 C Shift Results: #Consistent: 727 #Duplicate: 210 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1101 #Duplicate: 264 #Unknown: 0 #Suspicious: 18 #Anomalous: 0 N Shift Results: #Consistent: 209 #Duplicate: 50 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 Error Summary: 1.N4 C = 175.106(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2700e-01 1.N4 CA = 53.360(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.2372e-01 1.N4 CB = 38.782(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5659e-01 1.N4 HA = 4.625(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.0052e-01 1.N4 HB2 = 2.721(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.7404e-01 1.N4 HB3 = 2.645(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.5035e-01 1.F5 C = 175.870(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.2110e-01 1.F5 CA = 58.138(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.8199e-01 1.F5 CB = 39.386(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.7258e-01 1.F5 H = 8.155(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7586e-01 1.F5 HA = 4.583(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.3428e-01 1.F5 HB2 = 3.159(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.6739e-01 1.F5 HB3 = 3.037(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.8908e-01 1.F5 N = 120.324(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7595e-01 1.S6 C = 174.462(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.2681e-01 1.S6 CA = 58.398(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7638e-01 1.S6 CB = 63.927(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3162e-01 1.S6 H = 8.158(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3618e-01 1.S6 HA = 4.390(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.2198e-01 1.S6 HB2 = 3.805(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.6418e-01 1.S6 HB3 = 3.805(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.6763e-01 1.S6 N = 116.964(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4593e-01 1.L7 C = 177.286(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.8116e-01 1.L7 CA = 55.637(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9363e-01 1.L7 CB = 42.264(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8048e-01 1.L7 CG = 27.040(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1315e-01 1.L7 CD1 = 24.943(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.8846e-01 1.L7 CD2 = 23.710(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.4148e-01 1.L7 H = 8.097(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3787e-01 1.L7 HA = 4.252(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8496e-01 1.L7 HB2 = 1.546(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5069e-01 1.L7 HB3 = 1.509(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.7562e-01 1.L7 HD11 = 0.896(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0207e-01 1.L7 HD12 = 0.896(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0207e-01 1.L7 HD13 = 0.896(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0207e-01 1.L7 HD21 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L7 HD22 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L7 HD23 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L7 N = 123.605(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5456e-01 1.L11 C = 177.948(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2850e-01 1.L11 CA = 55.449(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.3601e-01 1.L11 CB = 42.144(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2964e-01 1.L11 CG = 27.053(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.0399e-01 1.L11 CD1 = 24.952(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.8399e-01 1.L11 CD2 = 23.404(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.0395e-01 1.L11 HA = 4.342(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6267e-01 1.L11 HB2 = 1.698(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9577e-01 1.L11 HB3 = 1.602(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.1982e-01 1.L11 HG = 1.620(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.3888e-01 1.L11 HD11 = 0.897(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9958e-01 1.L11 HD12 = 0.897(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9958e-01 1.L11 HD13 = 0.897(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9958e-01 1.L11 HD21 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 1.L11 HD22 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 1.L11 HD23 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 1.S12 C = 175.291(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.9645e-01 1.S12 CA = 58.913(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2572e-01 1.P17 C = 176.287(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.5913e-01 1.P17 CA = 63.340(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.9475e-01 1.P17 CB = 32.142(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.0455e-01 1.P17 HA = 4.392(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.8066e-01 1.P17 HB2 = 2.196(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.4032e-01 1.P17 HB3 = 1.887(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.5361e-01 1.N18 CA = 51.376(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.4971e-01 1.N18 CB = 38.857(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.2128e-01 1.N18 H = 8.327(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8354e-01 1.N18 HA = 4.900(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.2290e-01 1.N18 N = 118.870(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8812e-01 1.P19 C = 177.057(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.3889e-01 1.P19 CA = 63.715(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.0004e-01 1.P19 CB = 32.041(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7141e-01 1.P19 CG = 27.189(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.8609e-01 1.P19 HA = 4.288(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.3431e-01 1.P19 HB2 = 2.179(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.7729e-01 1.P19 HB3 = 1.867(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.1180e-01 1.Q20 C = 176.387(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.6850e-01 1.Q20 CA = 56.105(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2798e-01 1.Q20 CB = 29.226(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.8422e-01 1.Q20 CG = 34.006(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2461e-01 1.Q20 H = 8.309(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8010e-01 1.Q20 HA = 4.238(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4202e-01 1.Q20 HB2 = 2.033(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.4579e-01 1.Q20 HB3 = 1.893(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.5014e-01 1.Q20 HG2 = 2.294(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.2329e-01 1.Q20 HG3 = 2.294(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8900e-01 1.Q20 N = 118.856(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7394e-01 1.G21 C = 173.353(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8332e-01 1.G21 CA = 45.246(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3814e-01 1.G21 H = 8.109(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3386e-01 1.G21 HA2 = 3.858(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6212e-01 1.G21 HA3 = 3.858(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.0962e-01 1.G21 N = 108.956(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5362e-01 1.W22 C = 174.651(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.6487e-01 1.W22 CA = 54.963(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.9586e-01 1.W22 CB = 29.266(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.1127e-01 1.W22 H = 7.952(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.6876e-01 1.W22 HA = 4.906(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.6981e-01 1.W22 HB2 = 3.241(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.8415e-01 1.W22 HB3 = 3.119(D), Expected = 3.12, Std = 0.3600, ChiSquare = 9.9778e-01 1.W22 HE1 = 10.096(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.8066e-01 1.W22 N = 122.077(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.2433e-01 1.W22 NE1 = 129.490(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.3579e-01 1.P23 C = 177.202(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.6468e-01 1.P23 CA = 63.596(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6108e-01 1.P23 CB = 31.785(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.5607e-01 1.P23 CG = 27.216(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.6634e-01 1.P23 CD = 50.828(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.0786e-01 1.P23 HA = 4.261(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.7360e-01 1.P23 HB2 = 2.095(D), Expected = 2.08, Std = 0.3500, ChiSquare = 9.6582e-01 1.P23 HB3 = 1.734(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.5997e-01 1.P23 N = 135.065(D), Expected = 134.16, Std = 6.6200, ChiSquare = 8.9126e-01 1.G24 C = 173.992(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4826e-01 1.G24 CA = 45.302(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7143e-01 1.G24 H = 7.564(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.3861e-01 1.G24 HA2 = 3.670(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.1747e-01 1.G24 HA3 = 3.670(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.3419e-01 1.G24 N = 108.033(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7230e-01 1.W26 C = 176.758(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.5093e-01 1.W26 CA = 57.267(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.7893e-01 1.W26 CB = 29.586(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.3293e-01 1.W26 HA = 4.631(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.2634e-01 1.W26 HB2 = 3.286(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.8386e-01 1.W26 HB3 = 3.157(D), Expected = 3.12, Std = 0.3600, ChiSquare = 9.1814e-01 1.W26 HE1 = 10.079(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.9879e-01 1.W26 N = 119.345(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.7643e-01 1.G27 H = 8.073(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9256e-01 1.G27 N = 109.308(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2547e-01 1.N28 C = 174.825(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.0367e-01 1.N28 CA = 53.125(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2529e-01 1.N28 CB = 38.924(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8988e-01 1.N28 HA = 4.664(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.8670e-01 1.N28 HB2 = 2.765(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.8458e-01 1.N28 HB3 = 2.680(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.3201e-01 1.Q29 C = 173.836(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0454e-01 1.Q29 CA = 53.824(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.9943e-01 1.Q29 CB = 28.947(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.9379e-01 1.Q29 H = 8.190(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.5945e-01 1.Q29 HA = 4.500(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0116e-01 1.Q29 N = 120.933(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7203e-01 1.A31 C = 178.333(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.8070e-01 1.A31 CA = 52.730(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.3595e-01 1.A31 CB = 19.184(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2425e-01 1.A31 HA = 4.212(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.1313e-01 1.A31 HB1 = 1.324(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A31 HB2 = 1.324(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A31 HB3 = 1.324(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.G32 C = 174.041(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2753e-01 1.G32 CA = 45.297(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6845e-01 1.G32 H = 8.232(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8016e-01 1.G32 N = 107.983(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6290e-01 1.A33 C = 178.164(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4222e-01 1.A33 CA = 52.703(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2532e-01 1.A33 CB = 19.356(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5004e-01 1.A33 HA = 4.293(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4021e-01 1.A33 HB1 = 1.357(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7852e-01 1.A33 HB2 = 1.357(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7852e-01 1.A33 HB3 = 1.357(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7852e-01 1.G34 C = 174.410(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7393e-01 1.G34 CA = 45.348(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9881e-01 1.G34 H = 8.331(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9877e-01 1.G34 HA2 = 3.892(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3303e-01 1.G34 HA3 = 3.892(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.8275e-01 1.G34 N = 107.625(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9721e-01 1.G35 C = 173.208(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2474e-01 1.G35 CA = 44.957(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6931e-01 1.G35 H = 8.039(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5438e-01 1.G35 HA2 = 3.841(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.2735e-01 1.G35 HA3 = 3.841(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.7331e-01 1.G35 N = 107.759(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.2145e-01 1.Y36 C = 174.311(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.8422e-01 1.Y36 CA = 55.780(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.4914e-01 1.Y36 CB = 38.538(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.1732e-01 1.Y36 H = 7.981(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.4237e-01 1.Y36 HA = 4.719(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.7373e-01 1.Y36 HB2 = 2.952(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.0962e-01 1.Y36 HB3 = 2.822(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.6319e-01 1.Y36 N = 120.985(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.1184e-01 1.P37 N = 138.244(D), Expected = 134.16, Std = 6.6200, ChiSquare = 5.3729e-01 1.S40 C = 173.395(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.7634e-01 1.S40 CA = 58.023(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.3633e-01 1.S40 CB = 64.071(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5471e-01 1.S40 HA = 4.424(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.8866e-01 1.S40 HB2 = 3.752(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.0865e-01 1.S40 HB3 = 3.752(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.1663e-01 1.Y41 C = 174.018(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.8739e-01 1.Y41 CA = 55.705(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.3398e-01 1.Y41 CB = 38.560(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.2495e-01 1.Y41 H = 8.035(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.9623e-01 1.Y41 HA = 4.740(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.4427e-01 1.Y41 N = 122.518(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.3428e-01 1.P46 C = 176.390(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.1156e-01 1.P46 CA = 63.670(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.2300e-01 1.P46 CB = 31.831(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8715e-01 1.P46 CG = 24.436(D), Expected = 27.17, Std = 1.0900, ChiSquare = 1.2133e-02 1.P46 HA = 4.343(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.6287e-01 1.P46 HB2 = 2.174(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.8826e-01 1.P46 HB3 = 1.884(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.4728e-01 1.G47 C = 173.916(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8048e-01 1.G47 CA = 45.354(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9762e-01 1.G47 H = 8.023(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3671e-01 1.G47 HA2 = 3.876(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.9945e-01 1.G47 HA3 = 3.876(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.4828e-01 1.G47 N = 108.908(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4391e-01 1.P55 C = 177.239(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.4606e-01 1.P55 CA = 63.645(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.3582e-01 1.P55 CB = 31.804(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.6890e-01 1.P55 CG = 27.326(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.8620e-01 1.P55 CD = 50.498(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.5731e-01 1.P55 HA = 4.345(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.6763e-01 1.P55 HB2 = 2.164(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.1033e-01 1.P55 HB3 = 1.884(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.4728e-01 1.G56 C = 173.914(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8133e-01 1.G56 CA = 45.315(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7916e-01 1.G56 H = 8.115(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4082e-01 1.G56 HA2 = 3.965(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.8922e-01 1.G56 HA3 = 3.872(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3968e-01 1.G56 N = 109.184(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0006e-01 1.Q57 C = 175.261(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.9061e-01 1.Q57 CA = 55.589(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.4666e-01 1.Q57 CB = 29.807(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.3460e-01 1.Q57 CG = 33.833(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.4756e-01 1.Q57 HA = 4.315(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1854e-01 1.Q57 HB2 = 2.063(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.5853e-01 1.Q57 HB3 = 1.890(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.4244e-01 1.A58 C = 174.772(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6349e-01 1.A58 CA = 50.437(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7221e-01 1.A58 CB = 18.285(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.9198e-01 1.A58 H = 8.306(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5977e-01 1.A58 HA = 4.497(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.9014e-01 1.A58 HB1 = 1.277(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 1.A58 HB2 = 1.277(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 1.A58 HB3 = 1.277(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 1.A58 N = 126.762(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1841e-01 1.A62 C = 177.111(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6776e-01 1.A62 CA = 52.435(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2179e-01 1.A62 CB = 19.480(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9731e-01 1.A62 HA = 4.249(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8006e-01 1.A62 HB1 = 1.227(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.3616e-01 1.A62 HB2 = 1.227(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.3616e-01 1.A62 HB3 = 1.227(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.3616e-01 1.Y63 C = 175.448(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.8076e-01 1.Y63 CA = 57.689(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.6053e-01 1.Y63 CB = 38.870(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.3497e-01 1.Y63 H = 8.032(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.9320e-01 1.Y63 HA = 4.492(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.0535e-01 1.Y63 N = 118.841(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8933e-01 1.G65 C = 173.042(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5963e-01 1.G65 CA = 45.014(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0201e-01 1.G65 HA2 = 3.834(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.1320e-01 1.G65 HA3 = 3.834(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.5843e-01 1.A66 C = 175.576(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.0965e-01 1.A66 CA = 50.526(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8677e-01 1.A66 CB = 18.356(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2081e-01 1.A66 H = 8.057(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1162e-01 1.A66 HA = 4.549(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.1130e-01 1.A66 N = 124.418(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3718e-01 1.P74 C = 176.136(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.8428e-01 1.P74 CA = 62.845(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.4967e-01 1.P74 CB = 31.999(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.9952e-01 1.P74 CG = 27.392(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.3861e-01 1.P74 CD = 50.533(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.2965e-01 1.P74 HA = 4.377(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.4444e-01 1.P74 HB2 = 2.199(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.3386e-01 1.P74 HB3 = 1.874(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.2634e-01 1.A75 C = 175.393(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.7051e-01 1.A75 CA = 50.359(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6016e-01 1.A75 CB = 18.279(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8956e-01 1.A75 H = 8.239(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4817e-01 1.A75 HA = 4.527(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.4397e-01 1.A75 HB1 = 1.320(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A75 HB2 = 1.320(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A75 HB3 = 1.320(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A75 N = 125.119(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9361e-01 1.G77 C = 173.567(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7196e-01 1.G77 CA = 45.267(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5061e-01 1.G77 HA2 = 3.878(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0363e-01 1.G77 HA3 = 3.878(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.5259e-01 1.V78 C = 175.365(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9324e-01 1.V78 CA = 62.154(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0648e-01 1.V78 CB = 32.935(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0882e-01 1.V78 CG1 = 20.743(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.8282e-01 1.V78 CG2 = 21.104(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.2034e-01 1.V78 H = 7.706(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.8340e-01 1.V78 HA = 4.054(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.1461e-01 1.V78 HB = 1.957(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.4270e-01 1.V78 HG11 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 1.V78 HG12 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 1.V78 HG13 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 1.V78 HG21 = 0.797(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9145e-01 1.V78 HG22 = 0.797(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9145e-01 1.V78 HG23 = 0.797(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9145e-01 1.V78 N = 118.994(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3644e-01 1.Y79 C = 174.268(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.6946e-01 1.Y79 CA = 55.441(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.8403e-01 1.Y79 CB = 38.751(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.9222e-01 1.Y79 H = 8.338(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.8033e-01 1.Y79 HA = 4.832(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.1831e-01 1.Y79 HB2 = 3.013(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.8072e-01 1.Y79 HB3 = 2.853(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.7341e-01 1.Y79 N = 125.285(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.5657e-01 1.P80 C = 176.602(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2192e-01 1.P80 CA = 63.282(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.7481e-01 1.P80 CB = 32.016(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.8812e-01 1.P80 HA = 4.428(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.3238e-01 1.P80 HB2 = 2.160(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.1920e-01 1.P80 HB3 = 1.942(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.7201e-01 1.G81 C = 170.899(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.1403e-01 1.G81 CA = 44.368(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6366e-01 1.G81 H = 7.532(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1956e-01 1.G81 HA2 = 4.042(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.4571e-01 1.G81 HA3 = 3.974(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4148e-01 1.G81 N = 108.163(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9698e-01 1.S84 C = 174.508(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4808e-01 1.S84 CA = 58.156(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8527e-01 1.S84 CB = 64.210(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8176e-01 1.S84 HA = 4.453(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.4618e-01 1.S84 HB2 = 3.853(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.1400e-01 1.S84 HB3 = 3.823(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.2034e-01 1.G85 C = 171.841(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.8047e-01 1.G85 CA = 44.712(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.3399e-01 1.G85 H = 8.160(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9368e-01 1.G85 N = 110.185(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9413e-01 1.A88 C = 176.292(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.9662e-01 1.A88 CA = 52.263(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5782e-01 1.A88 CB = 19.715(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.0005e-01 1.A88 HA = 4.288(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4926e-01 1.A88 HB1 = 1.303(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5655e-01 1.A88 HB2 = 1.303(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5655e-01 1.A88 HB3 = 1.303(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5655e-01 1.Y89 C = 174.342(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.9496e-01 1.Y89 CA = 55.861(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.6600e-01 1.Y89 CB = 40.439(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.0442e-01 1.Y89 H = 8.096(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.5896e-01 1.Y89 HA = 4.524(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.4987e-01 1.Y89 N = 120.636(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.7797e-01 1.P90 N = 138.608(D), Expected = 134.16, Std = 6.6200, ChiSquare = 5.0165e-01 1.S96 C = 173.743(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.1013e-01 1.S96 CA = 58.224(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1063e-01 1.S96 CB = 64.012(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8610e-01 1.S96 HA = 4.396(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.3367e-01 1.S96 HB2 = 3.831(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4461e-01 1.S96 HB3 = 3.831(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.4390e-01 1.A97 C = 175.363(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.6444e-01 1.A97 CA = 50.510(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8408e-01 1.A97 CB = 18.505(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8258e-01 1.A97 H = 8.212(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8404e-01 1.A97 HA = 4.593(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.4916e-01 1.A97 HB1 = 1.337(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6012e-01 1.A97 HB2 = 1.337(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6012e-01 1.A97 HB3 = 1.337(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6012e-01 1.A97 N = 126.490(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5710e-01 1.Y101 C = 174.044(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.9561e-01 1.P102 N = 137.857(D), Expected = 134.16, Std = 6.6200, ChiSquare = 5.7653e-01 1.A103 C = 177.893(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4274e-01 1.A103 CA = 52.757(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.4662e-01 1.A103 CB = 19.355(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5047e-01 1.A103 HA = 4.387(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.7286e-01 1.T104 C = 174.771(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.9558e-01 1.T104 CA = 61.453(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.6712e-01 1.T104 CB = 70.049(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.4484e-01 1.T104 CG2 = 21.612(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.5546e-01 1.T104 H = 7.974(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.6790e-01 1.T104 HA = 4.408(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.1373e-01 1.T104 HB = 4.268(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.6649e-01 1.T104 HG21 = 1.209(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6418e-01 1.T104 HG22 = 1.209(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6418e-01 1.T104 HG23 = 1.209(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6418e-01 1.T104 N = 111.311(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.8701e-01 1.G105 C = 172.106(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.4809e-01 1.G105 CA = 44.759(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5918e-01 1.G105 H = 8.150(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8184e-01 1.G105 HA2 = 4.083(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6006e-01 1.G105 HA3 = 4.083(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.2089e-01 1.G105 N = 110.556(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1892e-01 1.G108 C = 173.113(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8720e-01 1.G108 CA = 45.119(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6313e-01 1.G108 HA2 = 3.846(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.3752e-01 1.G108 HA3 = 3.846(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8396e-01 1.A109 C = 175.408(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.7359e-01 1.A109 CA = 50.476(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7848e-01 1.A109 CB = 18.510(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8468e-01 1.A109 H = 7.963(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9284e-01 1.A109 HA = 4.594(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.4780e-01 1.A109 HB1 = 1.348(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9386e-01 1.A109 HB2 = 1.348(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9386e-01 1.A109 HB3 = 1.348(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9386e-01 1.A109 N = 124.546(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1008e-01 1.P110 C = 176.660(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.5247e-01 1.P110 CA = 63.157(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0938e-01 1.P110 CB = 32.097(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3420e-01 1.P110 HA = 4.416(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.6133e-01 1.P110 HB2 = 2.299(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.3150e-01 1.P110 HB3 = 1.950(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.8954e-01 1.A111 C = 177.722(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9326e-01 1.A111 CA = 52.356(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9213e-01 1.A111 CB = 19.636(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3229e-01 1.A111 H = 8.395(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4518e-01 1.A111 HA = 4.387(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.7286e-01 1.A111 HB1 = 1.421(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.8479e-01 1.A111 HB2 = 1.421(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.8479e-01 1.A111 HB3 = 1.421(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.8479e-01 1.A111 N = 124.399(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4123e-01 1.G112 C = 171.356(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.8115e-01 1.G112 CA = 44.498(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2489e-01 1.G112 H = 8.079(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9938e-01 1.G112 HA2 = 4.083(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6006e-01 1.G112 HA3 = 4.083(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.2089e-01 1.G112 N = 108.160(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9640e-01 1.P113 C = 176.798(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7464e-01 1.P113 CA = 63.131(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9584e-01 1.P113 CB = 32.384(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.5088e-01 1.P113 CG = 27.475(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.7962e-01 1.P113 CD = 50.708(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.9512e-01 1.P113 HA = 4.426(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.3720e-01 1.P113 HB2 = 2.268(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.9117e-01 1.P113 HB3 = 1.934(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.5454e-01 1.P113 HG2 = 1.933(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.9228e-01 1.P113 HG3 = 1.860(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.0352e-01 1.P113 HD2 = 3.640(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.7721e-01 1.P113 HD3 = 3.640(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.3868e-01 1.L114 C = 176.041(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.3173e-01 1.L114 CA = 54.390(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.6363e-01 1.L114 CB = 41.607(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0845e-01 1.L114 CG = 27.265(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5928e-01 1.L114 CD1 = 24.722(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.9900e-01 1.L114 CD2 = 23.087(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.7107e-01 1.L114 H = 8.307(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0570e-01 1.L114 HA = 4.438(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.0176e-01 1.L114 HB2 = 1.391(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.1950e-01 1.L114 HG = 1.485(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.3961e-01 1.L114 HD11 = 0.433(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5757e-01 1.L114 HD12 = 0.433(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5757e-01 1.L114 HD13 = 0.433(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5757e-01 1.L114 HD21 = 0.608(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7398e-01 1.L114 HD22 = 0.608(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7398e-01 1.L114 HD23 = 0.608(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7398e-01 1.L114 N = 122.498(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7005e-01 1.I115 CA = 60.754(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4942e-01 1.I115 CB = 39.022(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.4613e-01 1.I115 H = 8.092(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8219e-01 1.I115 HA = 4.199(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.7293e-01 1.I115 HG21 = 0.966(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6788e-01 1.I115 HG22 = 0.966(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6788e-01 1.I115 HG23 = 0.966(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6788e-01 1.I115 N = 123.256(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7476e-01 1.Y118 C = 173.858(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.3841e-01 1.Y118 CA = 57.371(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.6235e-01 1.Y118 H = 9.201(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.2749e-01 1.Y118 N = 126.260(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7173e-01 1.N119 CA = 51.906(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.8477e-01 1.N119 H = 7.871(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.5661e-01 1.N119 HA = 5.287(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.6549e-02 1.N119 N = 126.290(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.7805e-02 1.I134 C = 173.741(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.7201e-01 1.L135 H = 8.893(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0773e-01 1.L135 N = 126.875(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9848e-01 1.I145 HB = 0.743(S), Expected = 1.78, Std = 0.2900, ChiSquare = 3.4908e-04 1.H158 N = 133.456(S), Expected = 119.69, Std = 4.0000, ChiSquare = 5.7850e-04 1.P161 HG2 = 0.743(S), Expected = 1.93, Std = 0.3100, ChiSquare = 1.2865e-04 1.P161 HG3 = 0.743(S), Expected = 1.90, Std = 0.3300, ChiSquare = 4.5479e-04 1.P161 HD3 = 2.260(S), Expected = 3.61, Std = 0.3900, ChiSquare = 5.3710e-04 1.R169 HB2 = 0.879(S), Expected = 1.79, Std = 0.2700, ChiSquare = 7.4064e-04 1.R169 HB3 = -0.513(S), Expected = 1.76, Std = 0.2800, ChiSquare = 4.7449e-16 1.T175 CB = 75.515(S), Expected = 69.73, Std = 1.6300, ChiSquare = 3.8658e-04 1.K176 HG2 = 0.484(S), Expected = 1.37, Std = 0.2600, ChiSquare = 6.5515e-04 1.K176 HG3 = -0.426(S), Expected = 1.35, Std = 0.2800, ChiSquare = 2.2554e-10 1.K176 HD2 = 0.837(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.4202e-04 1.K176 HD3 = 0.837(S), Expected = 1.60, Std = 0.2200, ChiSquare = 5.2399e-04 1.F192 H = 5.782(S), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4286e-04 1.Q201 HA = 5.841(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.5636e-04 1.V202 CA = 60.747(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4223e-01 1.V202 HA = 5.174(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.9781e-02 1.D207 N = 106.998(S), Expected = 120.65, Std = 3.8600, ChiSquare = 4.0503e-04 1.V211 CA = 61.412(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0623e-01 1.V211 CG1 = 21.230(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.4839e-01 1.V211 CG2 = 21.552(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.5152e-01 1.V211 HA = 5.047(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3952e-01 1.V211 HG11 = 0.464(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.5922e-01 1.V211 HG12 = 0.464(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.5922e-01 1.V211 HG13 = 0.464(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.5922e-01 1.V211 HG21 = 0.829(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1751e-01 1.V211 HG22 = 0.829(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1751e-01 1.V211 HG23 = 0.829(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1751e-01 1.A212 CA = 50.928(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6392e-01 1.A212 CB = 22.585(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0754e-02 1.A212 HA = 4.996(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4381e-02 1.A212 HB1 = 1.131(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9962e-01 1.A212 HB2 = 1.131(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9962e-01 1.A212 HB3 = 1.131(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9962e-01 1.V213 CG2 = 23.407(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.6873e-01 1.V213 HG21 = 0.760(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8640e-01 1.V213 HG22 = 0.760(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8640e-01 1.V213 HG23 = 0.760(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8640e-01 1.D215 CA = 56.353(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1267e-01 1.D215 CB = 39.132(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.8058e-01 1.D215 HA = 4.042(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.6805e-02 1.D215 HB2 = 3.014(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.5815e-01 1.D215 HB3 = 2.864(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.6626e-01 1.D215 N = 107.612(S), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3089e-04 1.A216 CA = 50.912(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6048e-01 1.A216 CB = 21.069(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6053e-01 1.A216 HA = 4.703(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.1402e-01 1.A216 HB1 = 1.304(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A216 HB2 = 1.304(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A216 HB3 = 1.304(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.L219 H = 7.713(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2639e-01 1.L219 N = 110.515(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6262e-03 1.H223 NE2 = 161.376(A), Expected = 182.41, Std = 14.4000, ChiSquare = 1.4410e-01 1.L228 HD21 = -0.255(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8241e-04 1.L228 HD22 = -0.255(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8241e-04 1.L228 HD23 = -0.255(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8241e-04 1.L234 HD11 = -0.333(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0980e-04 1.L234 HD12 = -0.333(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0980e-04 1.L234 HD13 = -0.333(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0980e-04 1.L242 CD2 = 27.002(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.2481e-02 1.L242 H = 9.145(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5922e-01 1.L242 HD21 = 0.541(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1458e-01 1.L242 HD22 = 0.541(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1458e-01 1.L242 HD23 = 0.541(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1458e-01 1.L242 N = 125.544(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4486e-01 1.T243 C = 174.772(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.9513e-01 1.T243 CA = 63.463(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3128e-01 1.T243 CB = 69.329(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0567e-01 1.T243 CG2 = 22.233(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.3835e-01 1.T243 H = 9.043(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.9526e-01 1.T243 HA = 4.359(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.3334e-01 1.T243 HB = 3.797(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.5835e-01 1.T243 HG21 = 1.066(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T243 HG22 = 1.066(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T243 HG23 = 1.066(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T243 N = 119.634(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7499e-01 1.S244 C = 172.179(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5584e-01 1.S244 CA = 58.271(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.2828e-01 1.S244 H = 7.745(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6452e-01 1.S244 N = 112.326(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.6131e-01 1.A245 H = 8.390(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 1.A245 HA = 5.226(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.8131e-02 1.A245 N = 126.540(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4977e-01 1.S246 C = 171.538(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3155e-02 1.S246 CA = 57.585(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8348e-01 1.S246 CB = 65.754(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.8674e-01 1.S246 HA = 4.857(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.4594e-01 1.Y247 H = 8.348(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.6940e-01 1.Y247 HA = 5.968(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.6881e-02 1.Y247 N = 114.859(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7770e-01 1.T248 H = 8.883(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9969e-01 1.T248 N = 114.839(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0265e-01